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1-Heptanol, also known as heptyl alcohol, is a watery colorless liquid with a weak alcohol odor and a faint, aromatic, fatty odor. It has a pungent, spicy taste and is characterized by its fragrant, woody, heavy, and oily scent. It can be synthesized by the reduction of enanthic aldehyde, which is a distillation product of castor oil. 1-Heptanol has an aroma threshold value of 3 ppb, making it easily detectable even in small quantities.

111-70-6

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111-70-6 Usage

Uses

Used in the Fragrance Industry:
1-Heptanol is used as a fragrance ingredient due to its pleasant smell. Its unique and versatile scent profile makes it suitable for a wide range of applications in the fragrance industry.
Used in the Flavor Industry:
1-Heptanol is also used in the flavor industry to impart a spicy and aromatic taste to various food and beverage products. Its natural occurrence in a variety of fruits, vegetables, and other food sources contributes to its desirable flavor profile.
Used in the Perfumery Industry:
1-Heptanol is utilized in the perfumery industry for its ability to add depth and complexity to fragrance compositions. Its woody and heavy scent notes enhance the overall aroma of perfumes and colognes.
Used in the Essential Oils Industry:
1-Heptanol is found in a few essential oils, such as hyacinth, violet leaves, and Litsea zeylanica. It contributes to the unique aroma and therapeutic properties of these essential oils, making them popular choices for aromatherapy and other applications.
Used in the Food Industry:
1-Heptanol is used in the food industry to enhance the flavor and aroma of various products. Its natural presence in fruits like apple, banana, citrus peel oils, and berries, as well as vegetables like asparagus, peas, and potato, makes it a suitable ingredient for adding a fresh and authentic taste to food items.
Used in the Beverage Industry:
1-Heptanol is employed in the beverage industry to add a distinctive flavor and aroma to alcoholic and non-alcoholic drinks. Its presence in beverages like beer, cognac, rum, bourbon whiskey, and grape wines contributes to their unique taste profiles.
Used in the Aromatherapy Industry:
1-Heptanol is used in the aromatherapy industry for its potential therapeutic benefits. Its natural occurrence in various plant sources, such as cocoa, tea, and nuts, makes it a popular choice for creating essential oils and other aromatherapy products.
Used in the Cosmetic Industry:
1-Heptanol is utilized in the cosmetic industry as a fragrance ingredient in various personal care products. Its pleasant smell and ability to blend well with other fragrance components make it a valuable addition to perfumes, lotions, and other cosmetics.
Used in the Pharmaceutical Industry:
1-Heptanol may be used in the pharmaceutical industry as a solvent or carrier for various drugs and medications. Its properties as a colorless liquid with a weak alcohol odor make it suitable for use in pharmaceutical formulations.

Preparation

By reduction of enanthic aldehyde, which is a distillation product of castor oil.

Production Methods

1-Heptanol is produced by reacting hexenes with carbon monoxide in the oxo process or by the catalytic reduction of heptaldehyde. It has little commercial value except in fragrances and as an artificial flavoring agent.

Synthesis Reference(s)

The Journal of Organic Chemistry, 57, p. 1061, 1992 DOI: 10.1021/jo00030a003Synthesis, p. 701, 1979 DOI: 10.1055/s-1979-28800

Reactivity Profile

Heptan-1-ol is an alcohol. Flammable and/or toxic gases are generated by the combination of alcohols with alkali metals, nitrides, and strong reducing agents. They react with oxoacids and carboxylic acids to form esters plus water. Oxidizing agents convert them to aldehydes or ketones. Alcohols exhibit both weak acid and weak base behavior. They may initiate the polymerization of isocyanates and epoxides.

Hazard

Combustible.

Health Hazard

Low toxicity; liquid may irritate eyes.

Flammability and Explosibility

Nonflammable

Chemical Reactivity

Reactivity with Water No reaction; Reactivity with Common Materials: No reactions; Stability During Transport: Stable; Neutralizing Agents for Acids and Caustics: Not pertinent; Polymerization: Not pertinent; Inhibitor of Polymerization: Not pertinent.

Biochem/physiol Actions

Taste at 1-10 ppm

Purification Methods

Shake the alcohol with successive lots of alkaline KMnO4 until the colour persists for 15minutes, then dry it with K2CO3 or CaO, and fractionally distil it. [Beilstein 1 IV 1731.]

Check Digit Verification of cas no

The CAS Registry Mumber 111-70-6 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 1,1 and 1 respectively; the second part has 2 digits, 7 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 111-70:
(5*1)+(4*1)+(3*1)+(2*7)+(1*0)=26
26 % 10 = 6
So 111-70-6 is a valid CAS Registry Number.
InChI:InChI=1/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3

111-70-6 Well-known Company Product Price

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  • Alfa Aesar

  • (A12793)  1-Heptanol, 99%   

  • 111-70-6

  • 100ml

  • 184.0CNY

  • Detail
  • Alfa Aesar

  • (A12793)  1-Heptanol, 99%   

  • 111-70-6

  • 500ml

  • 397.0CNY

  • Detail
  • Alfa Aesar

  • (A12793)  1-Heptanol, 99%   

  • 111-70-6

  • 2500ml

  • 770.0CNY

  • Detail

111-70-6SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 10, 2017

Revision Date: Aug 10, 2017

1.Identification

1.1 GHS Product identifier

Product name Heptan-1-ol

1.2 Other means of identification

Product number -
Other names Gentanol

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Food additives -> Flavoring Agents
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:111-70-6 SDS

111-70-6Synthetic route

heptanal
111-71-7

heptanal

n-heptan1ol
111-70-6

n-heptan1ol

Conditions
ConditionsYield
With Triethoxysilane; potassium fluoride at 25℃; for 20h;100%
With Triethoxysilane; 1,3-Diphenylpropanone; potassium fluoride at 25℃; for 7h;100%
With 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane In benzene-d6 at 25℃; for 6h; Inert atmosphere; Glovebox; Sealed tube;98%
1-<(tert-butyldimethylsilyl)oxy>heptane
115306-89-3

1-<(tert-butyldimethylsilyl)oxy>heptane

n-heptan1ol
111-70-6

n-heptan1ol

Conditions
ConditionsYield
With tetrabutyl ammonium fluoride In tetrahydrofuran for 21h; Ambient temperature;100%
With methanol at 20℃; for 2h;100%
sulfonic acid functionalized nanoporous silica In methanol at 35℃; for 1.2h;93%
With water; 2,3-dicyano-5,6-dichloro-p-benzoquinone In ethyl acetate at 20 - 25℃; for 26h;14%
2-(heptyloxy)tetrahydro-2H-pyran
132336-04-0

2-(heptyloxy)tetrahydro-2H-pyran

n-heptan1ol
111-70-6

n-heptan1ol

Conditions
ConditionsYield
With methanol; Montmorillonite K-10 clay at 20℃; Methanolytic deprotection;97%
With bismuth(lll) trifluoromethanesulfonate In methanol for 0.0833333h; Heating;97%
With Oxone In methanol for 1.25h; Heating;82%
With bismuth(lll) trifluoromethanesulfonate In methanol; N,N-dimethyl-formamide at 110℃; for 24h;67%
3-Butyl-acrolein
2463-63-0

3-Butyl-acrolein

n-heptan1ol
111-70-6

n-heptan1ol

Conditions
ConditionsYield
With sodium tetrahydroborate; palladium diacetate In methanol at 20℃; for 1h;96%
heptanol trimethylsilyl ether
18132-93-9

heptanol trimethylsilyl ether

n-heptan1ol
111-70-6

n-heptan1ol

Conditions
ConditionsYield
With Oxone In methanol for 0.15h; Heating;95%
With Nafion-H(R); silica gel In hexane at 20℃; for 0.416667h;95%
With ethylenebis(N-methylimidazolium) chlorochromate In acetonitrile for 1h; Reflux;92%
heptanal
111-71-7

heptanal

C4H10Zn*C2H5Li

C4H10Zn*C2H5Li

A

nonan-3-ol
185019-15-2

nonan-3-ol

B

n-heptan1ol
111-70-6

n-heptan1ol

Conditions
ConditionsYield
In toluene for 24h; Alkylation; reduction; Title compound not separated from byproducts.;A 95%
B 2%
heptanal
111-71-7

heptanal

hexane
110-54-3

hexane

n-heptan1ol
111-70-6

n-heptan1ol

Conditions
ConditionsYield
With hydrogen In ethanol; benzene95%
2-(heptyloxy)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(heptyloxy)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

n-heptan1ol
111-70-6

n-heptan1ol

Conditions
ConditionsYield
With silica gel In methanol at 50℃; for 3h;95%
With methanol; silica gel at 50℃; for 3h;82%
With hydrogenchloride In water
With methanol; silica gel at 50℃; for 1.91667h;88 %Spectr.
2-heptenal

2-heptenal

n-heptan1ol
111-70-6

n-heptan1ol

Conditions
ConditionsYield
With whole cell cultures of dichomitus albidofuscus at 24℃; for 96h; Darkness; Microbiological reaction;95%
heptyl 4-methylbenzenesulfinate
89149-55-3

heptyl 4-methylbenzenesulfinate

A

1-Bromoheptane
629-04-9

1-Bromoheptane

B

n-heptan1ol
111-70-6

n-heptan1ol

C

1,2-dibromoheptane
42474-21-5

1,2-dibromoheptane

D

toluene-p-sulfonyl bromide
1950-69-2

toluene-p-sulfonyl bromide

Conditions
ConditionsYield
With bromine In chloroform for 2.5h; Ambient temperature;A 89 % Chromat.
B 3 % Chromat.
C 1 % Chromat.
D 94%
1-Bromoheptane
629-04-9

1-Bromoheptane

n-heptan1ol
111-70-6

n-heptan1ol

Conditions
ConditionsYield
With potassium hydroxide; tetrafluoroboric acid; sodium hydrogencarbonate; mercury(II) oxide In tetrahydrofuran 1.) room temp., 3 h;93%
With water; tetra-(n-butyl)ammonium iodide; caesium carbonate In dimethyl sulfoxide at 100℃; for 24h; Schlenk technique;58%
With water; tetra-(n-butyl)ammonium iodide; caesium carbonate; dimethyl sulfoxide at 100℃; for 24h; Schlenk technique; Sealed tube;58%
1-heptyl 4-methylbenzenesulfonate
24767-82-6

1-heptyl 4-methylbenzenesulfonate

n-heptan1ol
111-70-6

n-heptan1ol

Conditions
ConditionsYield
With cerium(III) chloride; sodium iodide In acetonitrile for 4h; tosylate cleavage; Heating;90%
heptanal
111-71-7

heptanal

ethyl sodium ; compound with diethyl zinc

ethyl sodium ; compound with diethyl zinc

A

nonan-3-ol
185019-15-2

nonan-3-ol

B

tetradecane-7,8-diol
16000-65-0

tetradecane-7,8-diol

C

n-heptan1ol
111-70-6

n-heptan1ol

Conditions
ConditionsYield
In toluene for 0.166667h; Alkylation; reduction; dimerization; Title compound not separated from byproducts.;A 90%
B 3%
C 2%
methoxymethyl heptyl ether
71739-40-7

methoxymethyl heptyl ether

n-heptan1ol
111-70-6

n-heptan1ol

Conditions
ConditionsYield
phosphotungstic acid In ethanol for 3.5h; Heating;90%
Heptanoic acid chloride
2528-61-2

Heptanoic acid chloride

n-heptan1ol
111-70-6

n-heptan1ol

Conditions
ConditionsYield
With N-methylpyrrolidine zinc borohydride In tetrahydrofuran at 20℃; for 1.16667h;89%
methyl heptanoate
106-73-0

methyl heptanoate

n-heptan1ol
111-70-6

n-heptan1ol

Conditions
ConditionsYield
With tert-butyl alcohol In tetrahydrofuran electrolysis (Mg electrodes, LiClO4);88%
With tert-butyl alcohol In tetrahydrofuran Product distribution; Mechanism; electrolysis (Mg electrodes, LiClO4); or Al electrodes;88%
With 5 wt% Re/TiO2; hydrogen In octane at 180℃; under 37503.8 Torr; for 24h; Autoclave; chemoselective reaction;85%
heptanal
111-71-7

heptanal

A

n-heptan1ol
111-70-6

n-heptan1ol

B

oenanthic acid
111-14-8

oenanthic acid

Conditions
ConditionsYield
With (CH3C6H4CH(CH3)2)RuCl((NH2)2C6H4)(1+)*Cl(1-)={(CH3C6H4CH(CH3)2)RuCl((NH2)2C6H4)}Cl; water In 1,4-dioxane at 105℃; for 20h; Schlenk technique; Inert atmosphere;A n/a
B 87%
bei der Einw.von Schweineleber-Brei;
With water; NADPH at 25℃; for 18h; pH=9; aq. buffer; Enzymatic reaction;
n-heptyl formate
112-23-2

n-heptyl formate

n-heptan1ol
111-70-6

n-heptan1ol

Conditions
ConditionsYield
dodecacarbonyl-triangulo-triruthenium; P(C4H9)3 In pyridine at 180℃; for 10h;86%
ethoxymethyl heptyl ether
1058649-58-3

ethoxymethyl heptyl ether

n-heptan1ol
111-70-6

n-heptan1ol

Conditions
ConditionsYield
phosphotungstic acid In ethanol for 3.5h; Heating;86%
benzyl hept-1-yl ether
16519-20-3

benzyl hept-1-yl ether

A

n-heptan1ol
111-70-6

n-heptan1ol

B

benzoic acid
65-85-0

benzoic acid

Conditions
ConditionsYield
With bis(acetylacetonate)oxovanadium; methyl 3,5-bis((1H-1,2,4-triazol-1-yl)methyl)benzoate; oxygen; sodium acetate at 120℃; for 48h;A 79%
B 86%
trimethylene oxide
503-30-0

trimethylene oxide

n-butyllithium
109-72-8, 29786-93-4

n-butyllithium

n-heptan1ol
111-70-6

n-heptan1ol

Conditions
ConditionsYield
With boron trifluoride diethyl etherate In tetrahydrofuran; hexane at -78℃; for 0.166667h;85%
heptanal
111-71-7

heptanal

ethyl potassium ; compound with diethyl zinc

ethyl potassium ; compound with diethyl zinc

A

nonan-3-ol
185019-15-2

nonan-3-ol

B

tetradecane-7,8-diol
16000-65-0

tetradecane-7,8-diol

C

n-heptan1ol
111-70-6

n-heptan1ol

Conditions
ConditionsYield
In toluene for 0.166667h; Alkylation; reduction; dimerization; Title compound not separated from byproducts.;A 85%
B 9%
C 2%
heptyl boronic acid
28741-07-3

heptyl boronic acid

n-heptan1ol
111-70-6

n-heptan1ol

Conditions
ConditionsYield
With dihydrogen peroxide at 30℃; for 5h; Green chemistry;85%
n-heptanoic anhydride
626-27-7

n-heptanoic anhydride

A

n-heptan1ol
111-70-6

n-heptan1ol

B

oenanthic acid
111-14-8

oenanthic acid

Conditions
ConditionsYield
With methanol; sodium tetrahydroborate In tetrahydrofuran for 1h; Ambient temperature;A 84%
B 78%
With sodium tetrahydroborate; nickel dichloride In diethylene glycol dimethyl ether for 1h; Product distribution; Ambient temperature; other symmetric and mixed anhydrides of carboxylic acids and carboxylic carbonic anhydrides;A 78%
B 80%
N,N-dimethylheptanamide
1115-96-4

N,N-dimethylheptanamide

n-heptan1ol
111-70-6

n-heptan1ol

Conditions
ConditionsYield
With tert-butyl alcohol In tetrahydrofuran electrolysis (Mg electrodes, LiClO4);82%
(E)-1-ethoxyhept-1-ene
16627-11-5

(E)-1-ethoxyhept-1-ene

n-heptan1ol
111-70-6

n-heptan1ol

Conditions
ConditionsYield
With chloro-trimethyl-silane; Benzyltriethylammonium borohydride; oxygen In dichloromethane at 0℃; for 6h;80%
oct-1-ene
111-66-0

oct-1-ene

n-heptan1ol
111-70-6

n-heptan1ol

Conditions
ConditionsYield
With sodium periodate; C18H15ClFN2Ru(1+)*Cl(1-) In water; tert-butyl alcohol at 60℃; for 1h; Catalytic behavior; Schlenk technique; Inert atmosphere;80%
1-Heptene
592-76-7

1-Heptene

n-heptan1ol
111-70-6

n-heptan1ol

Conditions
ConditionsYield
Stage #1: 1-Heptene With sodium tetrahydroborate; malonic acid In tetrahydrofuran at 60℃; for 5h;
Stage #2: With sodium hydroxide; dihydrogen peroxide In tetrahydrofuran; water at 40 - 50℃; for 2h; Further stages.;
79.5%
Multi-step reaction with 2 steps
2: NaOH; H2O2
View Scheme
butyl magnesium bromide
693-04-9

butyl magnesium bromide

1-chloro-3-hydroxypropane
627-30-5

1-chloro-3-hydroxypropane

n-heptan1ol
111-70-6

n-heptan1ol

Conditions
ConditionsYield
With 1-Phenylprop-1-yne; copper In tetrahydrofuran at 80℃; for 12h;76%
n-heptan1ol
111-70-6

n-heptan1ol

oenanthic acid
111-14-8

oenanthic acid

Conditions
ConditionsYield
With oxygen; potassium carbonate In water at 50℃; for 24h; Green chemistry;100%
With 4-methoxy-TEMPO; sodium hypochlorite; Aliquat 336; potassium bromide In dichloromethane; water at 0℃; for 0.0833333h; pH = 8.6;96%
With dichloro(1,5-cyclooctadiene)ruthenium(II); C30H30N3P2(1+)*Cl(1-); potassium hydroxide In toluene at 120℃; for 24h; Time; Inert atmosphere; Schlenk technique;95%
n-heptan1ol
111-70-6

n-heptan1ol

naphthalen-1-ylsilane
38274-75-8

naphthalen-1-ylsilane

α-Naphthyl-triheptoxy-silan
66774-52-5

α-Naphthyl-triheptoxy-silan

Conditions
ConditionsYield
potassium hydrogencarbonate at 180℃; for 1h;100%
With potassium formate at 180℃;
n-heptan1ol
111-70-6

n-heptan1ol

diphenylsilane
775-12-2

diphenylsilane

Diphenylheptanoxysilan
66774-55-8

Diphenylheptanoxysilan

Conditions
ConditionsYield
potassium thioacyanate at 180℃; for 0.5h;100%
With potassium thioacyanate at 180℃;
n-heptan1ol
111-70-6

n-heptan1ol

diphenylsilane
775-12-2

diphenylsilane

bis-heptyloxy-diphenyl-silane
18784-58-2

bis-heptyloxy-diphenyl-silane

Conditions
ConditionsYield
potassium phthalate at 180℃; for 0.3h;100%
With potassium formate at 180℃;
n-heptan1ol
111-70-6

n-heptan1ol

m-Toluic acid
99-04-7

m-Toluic acid

heptyl 3-methylbenzoate
5462-02-2

heptyl 3-methylbenzoate

Conditions
ConditionsYield
With Candida antarctica lipase B immobilised in a macroporous DVB crosslinked polymer (Novozym 435) In cyclohexane at 80℃; for 24h; Enzymatic reaction;100%
With diphenylphosphinopolystyrene; diethylazodicarboxylate In tetrahydrofuran at 25℃; for 4h;90%
n-heptan1ol
111-70-6

n-heptan1ol

4-nitro-benzoic acid
62-23-7

4-nitro-benzoic acid

heptyl 4-nitrobenzoate
14309-44-5

heptyl 4-nitrobenzoate

Conditions
ConditionsYield
With Candida antarctica lipase B immobilised in a macroporous DVB crosslinked polymer (Novozym 435) In cyclohexane at 80℃; for 24h; Enzymatic reaction;100%
With diphenylphosphinopolystyrene; diethylazodicarboxylate In tetrahydrofuran at 25℃; for 4h;84%
n-heptan1ol
111-70-6

n-heptan1ol

acetic anhydride
108-24-7

acetic anhydride

heptyl acetate
112-06-1

heptyl acetate

Conditions
ConditionsYield
K5 In acetonitrile at 20℃; for 0.416667h;100%
With boron trifluoride diethyl etherate In ethyl acetate for 0.00138889h;100%
With bismuth(lll) trifluoromethanesulfonate In acetonitrile at 20℃; for 0.0833333h;99%
n-heptan1ol
111-70-6

n-heptan1ol

benzoic acid
65-85-0

benzoic acid

1-heptyl benzoate
7155-12-6

1-heptyl benzoate

Conditions
ConditionsYield
With Candida antarctica lipase B immobilised in a macroporous DVB crosslinked polymer (Novozym 435) In cyclohexane at 80℃; for 24h; Solvent; Enzymatic reaction;100%
With 4-nitro-diphenylammonium triflate In toluene at 80℃; for 30h;95%
With zirconocene bis(perfluorooctanesulfonate) trihydrate*(tetrahydrofuran) In neat (no solvent) at 80℃; Sealed tube; Green chemistry; chemoselective reaction;90%
5-methyl-1,10-phenanthroline
3002-78-6

5-methyl-1,10-phenanthroline

n-heptan1ol
111-70-6

n-heptan1ol

3,5-dimethylphenyl iodide
22445-41-6

3,5-dimethylphenyl iodide

1-n-heptyloxy-3,5-dimethyl-benzene

1-n-heptyloxy-3,5-dimethyl-benzene

Conditions
ConditionsYield
With CuI; caesium carbonate In dodecane100%
With CuI; caesium carbonate In dodecane; toluene68%
With CuI; caesium carbonate In dodecane18%
n-heptan1ol
111-70-6

n-heptan1ol

p-Toluic acid
99-94-5

p-Toluic acid

1-heptyl 4-methylbenzoate

1-heptyl 4-methylbenzoate

Conditions
ConditionsYield
With Candida antarctica lipase B immobilised in a macroporous DVB crosslinked polymer (Novozym 435) In cyclohexane at 80℃; for 24h; Enzymatic reaction;100%
With 25 wtpercent H3PO4/ZrO2-TiO2 at 130℃; for 1.75h; Neat (no solvent); chemoselective reaction;80%
n-heptan1ol
111-70-6

n-heptan1ol

3-chlorobenzoate
535-80-8

3-chlorobenzoate

n-Heptyl m-chlorobenzoate
80345-34-2

n-Heptyl m-chlorobenzoate

Conditions
ConditionsYield
With Candida antarctica lipase B immobilised in a macroporous DVB crosslinked polymer (Novozym 435) In cyclohexane at 80℃; for 24h; Enzymatic reaction;100%
n-heptan1ol
111-70-6

n-heptan1ol

para-chlorobenzoic acid
74-11-3

para-chlorobenzoic acid

heptyl 4-chlorobenzoate
97222-05-4

heptyl 4-chlorobenzoate

Conditions
ConditionsYield
With Candida antarctica lipase B immobilised in a macroporous DVB crosslinked polymer (Novozym 435) In cyclohexane at 80℃; for 24h; Enzymatic reaction;100%
n-heptan1ol
111-70-6

n-heptan1ol

4-trifluoromethylbenzoic acid
455-24-3

4-trifluoromethylbenzoic acid

heptyl 4-(trifluoromethyl)benzoate
959086-76-1

heptyl 4-(trifluoromethyl)benzoate

Conditions
ConditionsYield
With Candida antarctica lipase B immobilised in a macroporous DVB crosslinked polymer (Novozym 435) In cyclohexane at 80℃; for 24h; Enzymatic reaction;100%
diethylphosphonoacetic acid
3095-95-2

diethylphosphonoacetic acid

n-heptan1ol
111-70-6

n-heptan1ol

heptyl 2-(diethoxyphosphoryl)acetate
147318-09-0

heptyl 2-(diethoxyphosphoryl)acetate

Conditions
ConditionsYield
With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; N-ethyl-N,N-diisopropylamine In ethyl acetate; toluene at 20℃; for 4h; Inert atmosphere;100%
With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; N-ethyl-N,N-diisopropylamine In tetrahydrofuran; ethyl acetate; toluene at 20℃; for 4h; Inert atmosphere;
n-heptan1ol
111-70-6

n-heptan1ol

3,4,6-tri-O-acetyl-2-deoxy-2-fluoro-α-D-mannopyranosyl trichloroacetimidate
154919-05-8

3,4,6-tri-O-acetyl-2-deoxy-2-fluoro-α-D-mannopyranosyl trichloroacetimidate

n-heptyl 3,4,6-tri-O-acetyl-2-fluoro-2-deoxy-α-D-mannopyranoside

n-heptyl 3,4,6-tri-O-acetyl-2-fluoro-2-deoxy-α-D-mannopyranoside

Conditions
ConditionsYield
Stage #1: n-heptan1ol; 3,4,6-tri-O-acetyl-2-deoxy-2-fluoro-α-D-mannopyranosyl trichloroacetimidate In dichloromethane at 20℃; for 0.5h; Molecular sieve; Inert atmosphere;
Stage #2: With trimethylsilyl trifluoromethanesulfonate In dichloromethane at 20℃; for 2h; Molecular sieve; Inert atmosphere;
100%
n-heptan1ol
111-70-6

n-heptan1ol

heptanal
111-71-7

heptanal

Conditions
ConditionsYield
With pyridine chromium peroxide In dichloromethane for 1.25h; Ambient temperature;99%
With polymeric complex of oxodiperoxochromium(VI) compound and pyrazine (Pyz-CrO5)n In dichloromethane for 1.5h; Ambient temperature;99%
With pyridine chromium peroxide In dichloromethane for 1.25h; Product distribution; Ambient temperature; effect of various chromium(VI) based oxidants;99%
n-heptan1ol
111-70-6

n-heptan1ol

methanesulfonyl chloride
124-63-0

methanesulfonyl chloride

heptyl methanesulfonate
16156-51-7

heptyl methanesulfonate

Conditions
ConditionsYield
With triethylamine In dichloromethane at 0℃;99%
With triethylamine In dichloromethane at 0 - 20℃;99%
With pyridine at 0℃;
With triethylamine In chloroform at 0 - 5℃; for 0.25h;
n-heptan1ol
111-70-6

n-heptan1ol

acetic acid
64-19-7

acetic acid

heptyl acetate
112-06-1

heptyl acetate

Conditions
ConditionsYield
With bismuth(lll) trifluoromethanesulfonate at 20℃; for 0.5h;99%
With K5 for 0.5h; Heating;98%
With zinc(II) oxide for 3h; Reflux;73%
formic acid
64-18-6

formic acid

n-heptan1ol
111-70-6

n-heptan1ol

n-heptyl formate
112-23-2

n-heptyl formate

Conditions
ConditionsYield
With iodine at 20℃; for 1h; Inert atmosphere;99%
Stage #1: formic acid With silica gel at 20℃; for 0.0166667h;
Stage #2: n-heptan1ol With silica gel at 110℃; for 0.05h;
94%
n-heptan1ol
111-70-6

n-heptan1ol

di(n-butyl)tin oxide
818-08-6

di(n-butyl)tin oxide

1,1,3,3-tetra-n-butyl-1,3-diheptyloxydistannoxane
181116-35-8

1,1,3,3-tetra-n-butyl-1,3-diheptyloxydistannoxane

Conditions
ConditionsYield
at 150℃; for 8h; Inert atmosphere; Industry scale;99%
at 150℃; under 760.051 Torr; for 8.5h; Inert atmosphere; Industry scale;99 %Spectr.
maleic anhydride
108-31-6

maleic anhydride

n-heptan1ol
111-70-6

n-heptan1ol

(3-heptyloxycarbonyl)acrylic acid

(3-heptyloxycarbonyl)acrylic acid

Conditions
ConditionsYield
With triethylamine In dichloromethane at 55℃; under 760.051 Torr; for 1h; Inert atmosphere;99%
n-heptan1ol
111-70-6

n-heptan1ol

N-methylaniline
100-61-8

N-methylaniline

N-heptyl-N-methylaniline
132902-66-0

N-heptyl-N-methylaniline

Conditions
ConditionsYield
With Co2Rh2 nanoparticles immobilized on charcoal at 140℃; for 24h; Schlenk technique; Inert atmosphere; Green chemistry; chemoselective reaction;99%
n-heptan1ol
111-70-6

n-heptan1ol

aniline
62-53-3

aniline

N,N-diheptylaniline

N,N-diheptylaniline

Conditions
ConditionsYield
With Co2Rh2 nanoparticles immobilized on charcoal at 165℃; for 24h; Inert atmosphere; Schlenk technique; Green chemistry; chemoselective reaction;99%
n-heptan1ol
111-70-6

n-heptan1ol

cyclohexanone
108-94-1

cyclohexanone

2,6‐diheptylcyclohexanone
1424337-59-6

2,6‐diheptylcyclohexanone

Conditions
ConditionsYield
With C26H42ClN2Ru(1+)*F6P(1-); potassium hydroxide In toluene at 120℃; for 3h;99%
n-heptan1ol
111-70-6

n-heptan1ol

malonic acid
141-82-2

malonic acid

diheptyl malonate
1117-18-6

diheptyl malonate

Conditions
ConditionsYield
With diphenylammonium trifluoromethanesulfonate In toluene at 80℃; for 6h;98.3%
With sulfuric acid In toluene Fischer-Speier Esterification; Heating;76%
With toluene-4-sulfonic acid In benzene Heating;
n-heptan1ol
111-70-6

n-heptan1ol

heptyl heptanoate
624-09-9

heptyl heptanoate

Conditions
ConditionsYield
With dihydrogen peroxide; bromine In dichloromethane; water at 20℃; for 6h; Solvent;98%
With N-Bromosuccinimide; L-proline In water at 20℃; for 1h;97%
With sodium bromate; sulfuric acid; sodium bromide In water at 20℃; for 24h;97%
n-heptan1ol
111-70-6

n-heptan1ol

citric acid
77-92-9

citric acid

tri(n-heptyl) citrate
95356-26-6

tri(n-heptyl) citrate

Conditions
ConditionsYield
With tetrabutoxytitanium at 170 - 220℃; under 760.051 Torr; for 4.5h; Inert atmosphere; Large scale;98%
With sulfuric acid at 150 - 200℃;
n-heptan1ol
111-70-6

n-heptan1ol

4-Chloro-2-(4-methyl-1-piperazinyl)quinazoline
39213-06-4

4-Chloro-2-(4-methyl-1-piperazinyl)quinazoline

4-Heptyloxy-2-(4-methyl-piperazin-1-yl)-quinazoline
129663-64-5

4-Heptyloxy-2-(4-methyl-piperazin-1-yl)-quinazoline

Conditions
ConditionsYield
With sodium hydride In N,N-dimethyl-formamide98%

111-70-6Related news

Enthalpy and entropy changes on molecular inclusion of 1-Heptanol (cas 111-70-6) into α- and β-cyclodextrin cavities in aqueous solutions08/25/2019

The enthalpies of transfer of 1-heptanol from aqueous to aqueous α- or β-cyclodextrin (CD) solutions have been determined by microcalorimetry at various mole fractions at 298.15 K. 1-Heptanol greatly stabilized in enthalpy in an α-CD cavity, accompanying a large entropy decrease. On the other...detailed

Densities and derived thermodynamic properties of 1-Heptanol (cas 111-70-6) and 2-heptanol at temperatures from 313 K to 363 K and pressures up to 22 MPa08/21/2019

Experimental densities were determined in liquid phase for 1-heptanol and 2-heptanol at temperatures from 313 K to 363 K and pressures up to 22 MPa using a vibrating tube densimeter. Water and nitrogen were used as reference fluids for the calibration of the vibrating tube densimeter. The uncert...detailed

111-70-6Relevant articles and documents

THE DIMESITYLBORON GROUP IN ORGANIC SYNTHESIS 2. THE C-ALKYLATION OF ALKYLDIMESITYLBORANES

Pelter, Andrew,Williams, Lorraine,Wilson, John W.

, p. 627 - 630 (1983)

It is demonstrated that anions α to the dimesitylboron group are alkylated at carbon in excellent yields.The alkylations may be repeated, so allowing for one-pot, one, two or three insertion reactions.

Hydrocarbonylation reactions using alkylphosphine-containing dendrimers based on a polyhedral oligosilsesquioxane core

Ropartz, Loic,Foster, Douglas F.,Morris, Russell E.,Slawin, Alexandra M. Z.,Cole-Hamilton, David J.

, p. 1997 - 2008 (2002)

Radical additions of HPR2 (R = Et, Cy) onto alkenyl groups or nucleophilic substitution reactions on chlorosilanes by LiCH2PR2 (R = Me, Hex) are used to prepare first and second-generation alkylphosphine-containing dendrimers based on a polyhedral oligomeric silsesquioxane (POSS) core. The first generation dendrimers (G1) are built on 16 or 24 arms, which are chlorides, vinyl groups or allyl moieties. Hydrosilylation (chlorosilane) followed by vinylation or allylation of octavinyl-functionalised POSS gave these G1 dendrimers. Successive hydrosilylation/allylation followed by hydrosilylation/vinylation produce the framework for the second-generation dendrimer (G2). The phosphorus-containing dendrimers are used as ligands for the hydrocarbonylation of alkenes (hex-1-ene, oct-1-ene, non-1-ene, prop-1-en-2-ol) in polar solvents (ethanol or THF) using the complexes [Rh(acac)(CO)2] or [Rh2(O2CMe)4] as metal source. Linear to branched ratios up to 3:1 for the alcohol products are obtained for the diethylphosphine dendrimers. The reactions were found to proceed mainly via the formation of the corresponding aldehydes.

Selective aldehyde reduction in ketoaldehydes with NaBH4-Na 2CO3-H2O at room temperatures

Chandrasekhar, Sosale,Shrinidhi, Annadka

, p. 2051 - 2056 (2014)

A variety of aliphatic and aromatic ketoaldehydes were reduced to the corresponding ketoalcohols with a mixture of sodium borohydride (1.2 equivalents) and sodium carbonate (sixfold molar excess) in water. Reactions were performed at room temperatures(typically) 2 h, and yields of isolated products generally ranged from 70% to 85%. A bis-carbonate-borane complex, [(BH3)2CO2]2- 2Na+, possibly formed from the reagent mixture, is likely the active reductant. The moderated reactivity of this acylborane species would explain the chemoselectivity observed in the reactions. The readily available reagents and the mild aqueous conditions make for ease of operation and environmental compatibility, and make a useful addition to available methodology. Copyright

Anomalous Rapid Reduction of Salicylaldehyde by Pyridine-Borane. Mechanism and Application to Selective Aldehyde Reduction

Chen, Joseph,Wayman, Kjirsten A.,Belshe, Marie A.,DiMare, Marcello

, p. 523 - 527 (1994)

The reduction of salicylaldehyde by pyridine-borane complex (PB) is much faster than that of other substituted benzaldehydes and ketones (seconds vs hours).Experiments reveal that this acceleration is due to an autocatalytic process involving a pyridinium boronate salt, a component of the equilibrating product mixture from PB reduction of salicylaldehyde.This pyridinium salt behaves as a mild Broensted acid and effectively accelerates aldehyde but not ketone reductions by PB.The observation that mild Broensted acids are catalysts for PB reductions led to the development of a method using AcOH in CH2Cl2 to promote the selective reduction of aldehydes in the presence of ketones.

Copper-Catalyzed Borylative Methylation of Alkyl Iodides with CO as the C1 Source: Advantaged by Faster Reaction of CuH over CuBpin

Wu, Fu-Peng,Wu, Xiao-Feng

, p. 11730 - 11734 (2021)

CuH and CuBpin are versatile catalysts and intermediates in organic chemistry. However, studies that involve both CuH and CuBpin in the same reaction is still rarely reported due to their high reactivity. Now, a study on CuH- and CuBpin-catalyzed borylative methylation of alkyl iodides with CO as the C1 source is reported. Various one carbon prolongated alkyl boranes (RCH2Bpin and RCH(Bpin)2) were produced in moderate to good yields from the corresponding alkyl iodides (RI). In this cooperative system, CuH reacts with alkyl iodide faster than CuBpin.

Kolbe Electrolysis of Biomass-Derived Fatty Acids Over Pt Nanocrystals in an Electrochemical Cell

Yuan, Gang,Wu, Chan,Zeng, Guorong,Niu, Xiaopo,Shen, Guoqiang,Wang, Li,Zhang, Xiangwen,Luque, Rafael,Wang, Qingfa

, p. 642 - 648 (2020)

Electrochemical valorization of non-food biomass-derived carboxylates into fuels is promising for the conversion, storage, and distribution of renewable electricity. Herein, we demonstrate that biofuels, hydrogen, and bicarbonate can be simultaneously produced in an electrochemical cell by one-step electrolysis of free fatty acids under ambient conditions on 3D self-supported ultralow Pt loading (2 wt %) electrode. The three valuable products can naturally separate from each other during the electrolysis in the alkaline aqueous solution. The experimental suggests that Pt(100) and Pt(110) are favorable for the production of non-Kolbe and Kolbe hydrocarbons, respectively. DFT calculation further clarifies the adsorption and stabilization of the reaction intermediates on Pt(100) and Pt(110).

Catalytic Reactions of Metalloporphyrins. 3. Catalytic Modification of Hydroboration-Oxidation of Olefin with Rhodium(III) Porphyrin as Catalyst

Aoyama, Yasuhiro,Tanaka, Yasutaka,Fujisawa, Takeshi,Watanabe, Takamichi,Toi, Hiroo,Ogoshi, Hisanobu

, p. 2555 - 2559 (1987)

(Octaethylporphyrinato)- or (tetraphenylporphyrinato)rhodium(III) chloride catalyzes the anti-Marcovnikov "hydration" of olefin with NaBH4 and O2 in THF. 1,5-Cyclooctadiene gives rise to cyclooctanol and 1,5-cyclooctanediol (in a ratio of approximately 1:2), and acetylenes are converted directly to alcohols under similar conditions.The initial step in the catalytic reaction of olefin is the hydride and borane transfers from BH4- respectively to RhIII porphyrin and olefin to give hydridorhodium (RhH) porphyrin and alkylborane.The RhH species undergoesoxidation with O2 back to RhIII with concomitant oxidation of alkylborane with retention of configuration.This coupled oxidation of alkylborane is in competition with its nonstereospecific autooxidation without assistance of Rh-H.The present system provides a catalytic modification of hydroboration-oxidation of olefin in the presence of oxygen, as illustrated by the one-pot conversion of 1-methylcyclohexene to (E)-2-methylcyclohexanol with 100 percent regioselectivity and up to 97 percent stereoselectivity.

BEHAVIOR OF AMINE IN RHODIUM COMPLEX-TERTIARY AMINE CATALYST SYSTEM ACTIVE FOR HYDROGENATION OF ALDEHYDE UNDER OXO REACTION CONDITIONS.

Mizoroki,Kioka,Suzuki,Sakatani,Okumura,Maruya

, p. 577 - 578 (1984)

The reaction was investigated to elucidate the reported disagreements on the kinetics. The concentration and the coordination stability of amine were found to affect the optimum pressure of carbon monoxide and the kinetics, and were suggested to control the reaction mechanism.

Highly efficient, general hydrogenation of aldehydes catalyzed by PNP iron pincer complexes

Zell, Thomas,Ben-David, Yehoshoa,Milstein, David

, p. 822 - 826 (2015)

A general protocol for the synthetically and industrially important hydrogenation of aldehydes to alcohols is reported. The reactions are catalyzed by well-defined iron pincer complexes that are capable of hydrogenation of aliphatic and aromatic aldehydes selectively and efficiently under mild conditions, with unprecedented turnover numbers.

Formate reduction of aldehydes using a photogenerated chromium carbonyl catalyst

Linn, D. E.,King, R. B.,King, A. D.

, p. C1 - C4 (1988)

The aldehydes RCHO (R = p-tolyl, p-anysil, n-hexyl) are reduced to the corresponding alcohols RCH2OH by sodium formate in 95percent aqueous methanol in the presence of a catalyst photogenerated from Cr(CO)6.

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