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2568-33-4

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2568-33-4 Usage

Chemical Properties

Clear colorless liquid

Uses

3-Methyl-1,3-butanediol is a useful compound in carbon oxygen coupling reactions.

Check Digit Verification of cas no

The CAS Registry Mumber 2568-33-4 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 2,5,6 and 8 respectively; the second part has 2 digits, 3 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 2568-33:
(6*2)+(5*5)+(4*6)+(3*8)+(2*3)+(1*3)=94
94 % 10 = 4
So 2568-33-4 is a valid CAS Registry Number.
InChI:InChI=1/C5H12O2/c1-5(2,7)3-4-6/h6-7H,3-4H2,1-2H3

2568-33-4 Well-known Company Product Price

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  • (Code)Product description
  • CAS number
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  • Aldrich

  • (65965)  3-Methyl-1,3-butanediol  ≥97.0% (GC)

  • 2568-33-4

  • 65965-250ML

  • 1,013.22CNY

  • Detail
  • Aldrich

  • (65965)  3-Methyl-1,3-butanediol  ≥97.0% (GC)

  • 2568-33-4

  • 65965-1L

  • 3,123.90CNY

  • Detail

2568-33-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-methylbutane-1,3-diol

1.2 Other means of identification

Product number -
Other names Isopentyldiol

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
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:2568-33-4 SDS

2568-33-4Synthetic route

1,1-dimethyl-trimethylene carbonate
32368-09-5

1,1-dimethyl-trimethylene carbonate

A

methanol
67-56-1

methanol

B

3-methyl-butane-1,3-diol
2568-33-4

3-methyl-butane-1,3-diol

Conditions
ConditionsYield
With C23H21MnN2O3P(1+)*Br(1-); potassium tert-butylate; hydrogen In 1,4-dioxane at 140℃; under 37503.8 Torr; for 16h; Autoclave;A 99 %Chromat.
B 99%
1,1-dimethyl-trimethylene carbonate
32368-09-5

1,1-dimethyl-trimethylene carbonate

3-methyl-butane-1,3-diol
2568-33-4

3-methyl-butane-1,3-diol

Conditions
ConditionsYield
With [carbonylchlorohydrido{bis[2-(diphenylphosphinomethyl)ethyl]amino}ethylamino] ruthenium(II); potassium tert-butylate; hydrogen In tetrahydrofuran at 140℃; under 38002.6 Torr; for 12h; Autoclave;97%
3-{[tert-butyl(dimethyl)silyl]oxy}-3-methylbutan-1-ol

3-{[tert-butyl(dimethyl)silyl]oxy}-3-methylbutan-1-ol

3-methyl-butane-1,3-diol
2568-33-4

3-methyl-butane-1,3-diol

Conditions
ConditionsYield
With sodium tetrachloroaurate(III) dihydrate In methanol at 20℃; for 40h;93%
1-Hydroxy-3-butanone
590-90-9

1-Hydroxy-3-butanone

methylmagnesium bromide
75-16-1

methylmagnesium bromide

3-methyl-butane-1,3-diol
2568-33-4

3-methyl-butane-1,3-diol

Conditions
ConditionsYield
In tetrahydrofuran; diethyl ether at 0℃; for 1h; Grignard reaction;64%
formaldehyd
50-00-0

formaldehyd

isobutene
115-11-7

isobutene

A

4-methyl-3,6-dihydro-2H-pyran
16302-35-5

4-methyl-3,6-dihydro-2H-pyran

B

4-methyl-3,4-dihydro-2H-pyran
2270-61-3

4-methyl-3,4-dihydro-2H-pyran

C

3-methyl-butane-1,3-diol
2568-33-4

3-methyl-butane-1,3-diol

D

methylcyclopentadiene
96-39-9

methylcyclopentadiene

E

3,4,4-trimethylcyclohexene
219811-94-6

3,4,4-trimethylcyclohexene

F

isovaleraldehyde
590-86-3

isovaleraldehyde

G

isoprene
78-79-5

isoprene

Conditions
ConditionsYield
With niobium phosphate at 299.84℃; for 3.33333h; Temperature;A n/a
B n/a
C n/a
D n/a
E n/a
F n/a
G 57%
1-Hydroxy-3-butanone
590-90-9

1-Hydroxy-3-butanone

CH3X (X=Br or I)

CH3X (X=Br or I)

3-methyl-butane-1,3-diol
2568-33-4

3-methyl-butane-1,3-diol

Conditions
ConditionsYield
With magnesium Grignard reaction;50%
ethyl 3-hydroxy-3-methylbutanoate
18267-36-2

ethyl 3-hydroxy-3-methylbutanoate

3-methyl-butane-1,3-diol
2568-33-4

3-methyl-butane-1,3-diol

Conditions
ConditionsYield
With lithium aluminium tetrahydride40%
With lithium aluminium tetrahydride In diethyl ether
With lithium aluminium tetrahydride
3-Hydroxy-3-methylbutyric acid
625-08-1

3-Hydroxy-3-methylbutyric acid

3-methyl-butane-1,3-diol
2568-33-4

3-methyl-butane-1,3-diol

Conditions
ConditionsYield
With lithium aluminium tetrahydride In tetrahydrofuran at 0 - 20℃; for 3h;39%
4,4-dimethyl-1,3-dioxane
766-15-4

4,4-dimethyl-1,3-dioxane

3-methyl-butane-1,3-diol
2568-33-4

3-methyl-butane-1,3-diol

Conditions
ConditionsYield
With methanol; sulfuric acid
With water; chlorine at 2 - 8℃;
With ion-exchange resin + form>; ethanethiol In 1,4-dioxane
With europium(III) hydroxide; water at 180℃; for 9h; Autoclave;
With ethanol; sulfuric acid bei Siedetemperatur;
tetrachloromethane
56-23-5

tetrachloromethane

1,3-dichloro-3-methylbutane
624-96-4

1,3-dichloro-3-methylbutane

3-methyl-butane-1,3-diol
2568-33-4

3-methyl-butane-1,3-diol

Conditions
ConditionsYield
at 150℃;
methyl magnesium iodide
917-64-6

methyl magnesium iodide

1-Hydroxy-3-butanone
590-90-9

1-Hydroxy-3-butanone

3-methyl-butane-1,3-diol
2568-33-4

3-methyl-butane-1,3-diol

1,3-dichloro-3-methylbutane
624-96-4

1,3-dichloro-3-methylbutane

3-methyl-butane-1,3-diol
2568-33-4

3-methyl-butane-1,3-diol

Conditions
ConditionsYield
With potassium carbonate
With potassium carbonate
With sodium hydroxide at 150℃;
1,3-dibromo-3-methylbutane
24443-15-0

1,3-dibromo-3-methylbutane

3-methyl-butane-1,3-diol
2568-33-4

3-methyl-butane-1,3-diol

Conditions
ConditionsYield
With potassium carbonate
2-methyl-3-buten-2-ol
115-18-4

2-methyl-3-buten-2-ol

3-methyl-butane-1,3-diol
2568-33-4

3-methyl-butane-1,3-diol

Conditions
ConditionsYield
With sulfuric acid at 25℃;
methyl β-hydroxy-β-methylbutyrate
6149-45-7

methyl β-hydroxy-β-methylbutyrate

3-methyl-butane-1,3-diol
2568-33-4

3-methyl-butane-1,3-diol

Conditions
ConditionsYield
With lithium aluminium tetrahydride; diethyl ether
3-methylbutane-1,3-diyl diacetate
5205-15-2

3-methylbutane-1,3-diyl diacetate

3-methyl-butane-1,3-diol
2568-33-4

3-methyl-butane-1,3-diol

Conditions
ConditionsYield
With methanol; sodium methylate
formaldehyd
50-00-0

formaldehyd

isobutene
115-11-7

isobutene

A

4,4-dimethyl-1,3-dioxane
766-15-4

4,4-dimethyl-1,3-dioxane

B

3-methyl-butane-1,3-diol
2568-33-4

3-methyl-butane-1,3-diol

Conditions
ConditionsYield
With boron trifluoride
With water at 135℃; for 3h; Reagent/catalyst; Temperature; Autoclave;A 23 %Chromat.
B 70 %Chromat.
2-methyl-1-buten-4-ol
763-32-6

2-methyl-1-buten-4-ol

3-methyl-butane-1,3-diol
2568-33-4

3-methyl-butane-1,3-diol

Conditions
ConditionsYield
With sulfuric acid at 25℃; Rate constant; Thermodynamic data; effective energy of activation;
With sulfuric acid
With sodium hydroxide; sodium tetrahydroborate; mercury(II) diacetate; water 1.) tetrahydrofuran, 1 h, 2.) 25 deg C, 3 h; Yield given. Multistep reaction;
4,4-dimethyl-1,3-dioxane
766-15-4

4,4-dimethyl-1,3-dioxane

acetaldehyde
75-07-0

acetaldehyde

A

3-methyl-butane-1,3-diol
2568-33-4

3-methyl-butane-1,3-diol

B

2,4,4-trimethyl-1,3-dioxane
29879-84-3

2,4,4-trimethyl-1,3-dioxane

Conditions
ConditionsYield
sulfuric acid In hexane at 70℃; Product distribution; var. time;
4,4-dimethyl-1,3-dioxane
766-15-4

4,4-dimethyl-1,3-dioxane

A

4-methyl-3,6-dihydro-2H-pyran
16302-35-5

4-methyl-3,6-dihydro-2H-pyran

B

2-methyl-1-buten-4-ol
763-32-6

2-methyl-1-buten-4-ol

C

3-methyl-butane-1,3-diol
2568-33-4

3-methyl-butane-1,3-diol

D

4-hydroxy-4-methyltetrahydropyran
7525-64-6

4-hydroxy-4-methyltetrahydropyran

E

2-methyl-3-buten-2-ol
115-18-4

2-methyl-3-buten-2-ol

F

3-methyl-2-buten-1-ol
556-82-1

3-methyl-2-buten-1-ol

Conditions
ConditionsYield
With sulfuric acid at 120℃; for 3h; Product distribution; various catalyst, various temperature, various time, extent of conversion, solvent cyclohexane;
4,4-dimethyl-1,3-dioxane
766-15-4

4,4-dimethyl-1,3-dioxane

A

formaldehyd
50-00-0

formaldehyd

B

3-methyl-butane-1,3-diol
2568-33-4

3-methyl-butane-1,3-diol

Conditions
ConditionsYield
With water In isopropyl alcohol at 60℃; Rate constant; Mechanism; Equilibrium constant; other solvent and temperature ; ΔH(excit.), ΔS(excit.); energy of activation;
With sulfuric acid; water In water at 25℃; Thermodynamic data; Equilibrium constant; Mechanism; E(activ.), various acid catalysts, acid concentrations, temperatures;
1-tert-butoxy-3-methyl-3-butanol
22419-28-9

1-tert-butoxy-3-methyl-3-butanol

A

3-methyl-butane-1,3-diol
2568-33-4

3-methyl-butane-1,3-diol

B

tert-butyl alcohol
75-65-0

tert-butyl alcohol

Conditions
ConditionsYield
With sulfuric acid at 40℃; Kinetics; Rate constant; Equilibrium constant; var. temperatures; energy data: E, log A;
acetaldehyde
75-07-0

acetaldehyde

isobutene
115-11-7

isobutene

A

4,4-dimethyl-1,3-dioxane
766-15-4

4,4-dimethyl-1,3-dioxane

B

2,4,4,6-tetramethyl-1,3-dioxane
5182-37-6

2,4,4,6-tetramethyl-1,3-dioxane

C

2-methyl-2,4-pentanediol
107-41-5

2-methyl-2,4-pentanediol

D

3-methyl-butane-1,3-diol
2568-33-4

3-methyl-butane-1,3-diol

E

2,4,4-trimethyl-1,3-dioxane
29879-84-3

2,4,4-trimethyl-1,3-dioxane

Conditions
ConditionsYield
With formaldehyd; sulfuric acid In various solvent(s) at 70℃; for 4.33333h; Product distribution; var. time, steel bomb;A 5.6 mmol
B 8.5 mmol
C n/a
D n/a
E 16.4 mmol
2,4,4-trimethyl-1,3-dioxane
29879-84-3

2,4,4-trimethyl-1,3-dioxane

A

4,4-dimethyl-1,3-dioxane
766-15-4

4,4-dimethyl-1,3-dioxane

B

3-methyl-butane-1,3-diol
2568-33-4

3-methyl-butane-1,3-diol

Conditions
ConditionsYield
With formaldehyd; sulfuric acid In hexane at 70℃; Product distribution; var. time;
isoprene
78-79-5

isoprene

3-methyl-butane-1,3-diol
2568-33-4

3-methyl-butane-1,3-diol

Conditions
ConditionsYield
With sulfuric acid at 25℃; Rate constant; Mechanism;
Multi-step reaction with 2 steps
1: HCl
2: NaOH / 150 °C
View Scheme
2-methyl-3-buten-2-ol
115-18-4

2-methyl-3-buten-2-ol

A

2-methyl-1-buten-4-ol
763-32-6

2-methyl-1-buten-4-ol

B

formaldehyd
50-00-0

formaldehyd

C

3-methyl-butane-1,3-diol
2568-33-4

3-methyl-butane-1,3-diol

D

3-methyl-2-buten-1-ol
556-82-1

3-methyl-2-buten-1-ol

E

tert-butyl alcohol
75-65-0

tert-butyl alcohol

Conditions
ConditionsYield
With sulfuric acid at 25℃; Product distribution; Rate constant; acid-catalyzed isomerization, dehydratation and decomposition of isopentenols, retro-Prince reaction;
2-methyl-3-buten-2-ol
115-18-4

2-methyl-3-buten-2-ol

A

2-methyl-1-buten-4-ol
763-32-6

2-methyl-1-buten-4-ol

B

formaldehyd
50-00-0

formaldehyd

C

3-methyl-butane-1,3-diol
2568-33-4

3-methyl-butane-1,3-diol

D

3-methyl-2-buten-1-ol
556-82-1

3-methyl-2-buten-1-ol

E

isobutene
115-11-7

isobutene

F

isoprene
78-79-5

isoprene

Conditions
ConditionsYield
With sulfuric acid In water at 25℃; Kinetics; Mechanism;
2,2-dimethyl-oxetane
6245-99-4

2,2-dimethyl-oxetane

water
7732-18-5

water

3-methyl-butane-1,3-diol
2568-33-4

3-methyl-butane-1,3-diol

acetaldehyde
75-07-0

acetaldehyde

isobutene
115-11-7

isobutene

paraform

paraform

A

4,4-dimethyl-1,3-dioxane
766-15-4

4,4-dimethyl-1,3-dioxane

B

2,4,4,6-tetramethyl-1,3-dioxane
5182-37-6

2,4,4,6-tetramethyl-1,3-dioxane

C

3-methyl-butane-1,3-diol
2568-33-4

3-methyl-butane-1,3-diol

D

2,4,4-trimethyl-1,3-dioxane
29879-84-3

2,4,4-trimethyl-1,3-dioxane

Conditions
ConditionsYield
sulfuric acid In various solvent(s) at 70℃; for 5.33333h; steel bomb; Further byproducts given. Title compound not separated from byproducts;A 6.1 mmol
B 7.5 mmol
C n/a
D 16.4 mmol
sulfuric acid In various solvent(s) at 70℃; for 4.33333h; steel bomb; Further byproducts given. Title compound not separated from byproducts;A 5.6 mmol
B 8.5 mmol
C n/a
D 16.4 mmol
sulfuric acid In various solvent(s) at 70℃; for 3h; steel bomb; Further byproducts given. Title compound not separated from byproducts;A 4.8 mmol
B 4.9 mmol
C n/a
D 21.6 mmol
formaldehyd
50-00-0

formaldehyd

sulfuric acid
7664-93-9

sulfuric acid

isobutene
115-11-7

isobutene

A

4,4-dimethyl-1,3-dioxane
766-15-4

4,4-dimethyl-1,3-dioxane

B

4,4-dimethyl-5-hydroxymethyl-1,3-dioxane
3258-96-6

4,4-dimethyl-5-hydroxymethyl-1,3-dioxane

C

3-methyl-butane-1,3-diol
2568-33-4

3-methyl-butane-1,3-diol

D

2-hydroxymethyl-3-methyl-butane-1,3-diol
35633-29-5

2-hydroxymethyl-3-methyl-butane-1,3-diol

Conditions
ConditionsYield
at 85 - 115℃; under 5884.06 - 10297.1 Torr; analoge Reaktion mit Acetaldehyd;
3-methyl-butane-1,3-diol
2568-33-4

3-methyl-butane-1,3-diol

pent-4-enoic acid
591-80-0

pent-4-enoic acid

C15H24O4
1446746-89-9

C15H24O4

Conditions
ConditionsYield
Stage #1: pent-4-enoic acid With dmap; dicyclohexyl-carbodiimide In dichloromethane at 0℃; for 0.5h;
Stage #2: 3-methyl-butane-1,3-diol In dichloromethane at 20℃;
100%
3-methyl-butane-1,3-diol
2568-33-4

3-methyl-butane-1,3-diol

4-bromo-2-fluoro-9H-fluoren-9-one

4-bromo-2-fluoro-9H-fluoren-9-one

4-bromo-2-(3-hydroxy-3-methylbutyloxy)-9H-fluoren-9-one

4-bromo-2-(3-hydroxy-3-methylbutyloxy)-9H-fluoren-9-one

Conditions
ConditionsYield
With tetra(n-butyl)ammonium hydroxide; sodium hydroxide In tetrahydrofuran; water; toluene at 3.6 - 20℃; for 9.5h; Inert atmosphere;100%
3-methyl-butane-1,3-diol
2568-33-4

3-methyl-butane-1,3-diol

5-bromo-2-fluoropyridine
766-11-0

5-bromo-2-fluoropyridine

4-(5-bromopyridin-2-yloxy)-2-methylbutan-2-ol

4-(5-bromopyridin-2-yloxy)-2-methylbutan-2-ol

Conditions
ConditionsYield
Stage #1: 3-methyl-butane-1,3-diol With sodium hydride In N,N-dimethyl-formamide at 0 - 20℃; for 0.5h; Inert atmosphere;
Stage #2: 5-bromo-2-fluoropyridine In N,N-dimethyl-formamide at 0 - 20℃; for 18h; Inert atmosphere;
100%
3-methyl-butane-1,3-diol
2568-33-4

3-methyl-butane-1,3-diol

carbonic acid dimethyl ester
616-38-6

carbonic acid dimethyl ester

1,1-dimethyl-trimethylene carbonate
32368-09-5

1,1-dimethyl-trimethylene carbonate

Conditions
ConditionsYield
Stage #1: 3-methyl-butane-1,3-diol; carbonic acid dimethyl ester With Novozym435 at 60℃; for 7h; Molecular sieve; Enzymatic reaction;
Stage #2: at 90℃; for 65h; chemoselective reaction;
99.3%
In neat (no solvent) at 120℃; for 3h; Molecular sieve; Green chemistry;98.2%
3-methyl-butane-1,3-diol
2568-33-4

3-methyl-butane-1,3-diol

di-tert-butyl dicarbonate
24424-99-5

di-tert-butyl dicarbonate

(3-hydroxy-3-methylbutyl) tert-butyl carbonate

(3-hydroxy-3-methylbutyl) tert-butyl carbonate

Conditions
ConditionsYield
With zinc diacetate In dichloromethane for 12.33h; Heating;98%
3-methyl-butane-1,3-diol
2568-33-4

3-methyl-butane-1,3-diol

methacrylic acid methyl ester
80-62-6

methacrylic acid methyl ester

A

3-methyl-3-hydroxy-1-butyl methacrylate
114349-53-0

3-methyl-3-hydroxy-1-butyl methacrylate

B

3-methylbutane-1,3-diyl bis(2-methylacrylate)

3-methylbutane-1,3-diyl bis(2-methylacrylate)

Conditions
ConditionsYield
With 1,1,1-trioctyl-1-methylphosphonium methylcarbonate; 4,4'-di-tert-butylbiphenyl at 50℃; for 2h; Temperature; Schlenk technique; Molecular sieve;A 98%
B 2%
With 1,1,1-trioctyl-1-methylphosphonium methylcarbonate at 20℃; for 3h; Molecular sieve; Green chemistry; chemoselective reaction;A 97%
B 3%
With tetramethylammonium methyl carbonate at 80℃; for 6h; Molecular sieve; Green chemistry; chemoselective reaction;A 3%
B 97%
3-methyl-butane-1,3-diol
2568-33-4

3-methyl-butane-1,3-diol

benzoyl chloride
98-88-4

benzoyl chloride

2-phenyl-4,4-dimethyl-1,3-dioxanium hexachloroantimonate

2-phenyl-4,4-dimethyl-1,3-dioxanium hexachloroantimonate

Conditions
ConditionsYield
With antimonypentachloride In dichloromethane at 0℃; for 0.25h;97%
3-methyl-butane-1,3-diol
2568-33-4

3-methyl-butane-1,3-diol

p-toluenesulfonyl chloride
98-59-9

p-toluenesulfonyl chloride

3-hydroxy-3-methylbutyl toluene-4-sulfonate
17689-66-6

3-hydroxy-3-methylbutyl toluene-4-sulfonate

Conditions
ConditionsYield
With pyridine at 0℃; for 2h;97%
With pyridine at 20℃; for 8h;90%
With pyridine at 0 - 20℃; for 16h;90%
3-methyl-butane-1,3-diol
2568-33-4

3-methyl-butane-1,3-diol

acetyl chloride
75-36-5

acetyl chloride

3-hydroxy-3-methylbutyl acetate
5205-01-6

3-hydroxy-3-methylbutyl acetate

Conditions
ConditionsYield
With calcium oxide In 2-methyltetrahydrofuran at 20℃; for 6h; Green chemistry; chemoselective reaction;96%
With pyridine In diethyl ether 1) -15 deg C, 2) room temperature;
3-methyl-butane-1,3-diol
2568-33-4

3-methyl-butane-1,3-diol

tert-butylchlorodiphenylsilane
58479-61-1

tert-butylchlorodiphenylsilane

4-((tert-butyldiphenylsilyl)oxy)-2-methylbutan-2-ol
944451-16-5

4-((tert-butyldiphenylsilyl)oxy)-2-methylbutan-2-ol

Conditions
ConditionsYield
With dmap; N-ethyl-N,N-diisopropylamine In dichloromethane at 0 - 20℃; Inert atmosphere;95%
With 1H-imidazole In N,N-dimethyl-formamide at 20℃; for 48h;78%
With 1H-imidazole In dichloromethane
3-methyl-butane-1,3-diol
2568-33-4

3-methyl-butane-1,3-diol

benzoyl chloride
98-88-4

benzoyl chloride

(3-hydroxy-3-methylbutyl) benzoate
5205-04-9

(3-hydroxy-3-methylbutyl) benzoate

Conditions
ConditionsYield
With iron(III)-acetylacetonate; N-ethyl-N,N-diisopropylamine In acetonitrile at 20℃; for 6h; Green chemistry; regioselective reaction;94%
With iron(III)-acetylacetonate; N-ethyl-N,N-diisopropylamine In acetonitrile at 20℃; for 12h;75%
With potassium carbonate In benzene Heating;
3-methyl-butane-1,3-diol
2568-33-4

3-methyl-butane-1,3-diol

malondialdehyde bis(diethyl acetal)
122-31-6

malondialdehyde bis(diethyl acetal)

bis(4,4-dimethyl-1,3-dioxan-2-yl)methane
86444-85-1

bis(4,4-dimethyl-1,3-dioxan-2-yl)methane

Conditions
ConditionsYield
With KU-2-8 cation-exchange resin In benzene at 120 - 130℃; heating until alcohol liberation was complete;93%
3-phenyl-propionaldehyde
104-53-0

3-phenyl-propionaldehyde

3-methyl-butane-1,3-diol
2568-33-4

3-methyl-butane-1,3-diol

(S)-4,4-dimethyl-2-phenethyl-1,3-dioxane

(S)-4,4-dimethyl-2-phenethyl-1,3-dioxane

Conditions
ConditionsYield
With C80H73NO6P2 In toluene at 20℃; for 48h; Molecular sieve; enantioselective reaction;93%
3-methyl-butane-1,3-diol
2568-33-4

3-methyl-butane-1,3-diol

p-toluenesulfonyl chloride
98-59-9

p-toluenesulfonyl chloride

4-iodo-2-methylbutan-2-ol
221248-59-5

4-iodo-2-methylbutan-2-ol

Conditions
ConditionsYield
Stage #1: 3-methyl-butane-1,3-diol; p-toluenesulfonyl chloride With pyridine In dichloromethane at 0 - 20℃; for 16h;
Stage #2: With sodium iodide In acetone for 2h; Finkelstein Reaction;
93%
3-methyl-butane-1,3-diol
2568-33-4

3-methyl-butane-1,3-diol

triisopropylsilyl chloride
13154-24-0

triisopropylsilyl chloride

3-hydroxy-3-methylbutoxytriisopropylsilane
1236306-11-8

3-hydroxy-3-methylbutoxytriisopropylsilane

Conditions
ConditionsYield
With 1H-imidazole In N,N-dimethyl-formamide Inert atmosphere;91%
3-methyl-butane-1,3-diol
2568-33-4

3-methyl-butane-1,3-diol

para-chloroacetophenone
99-91-2

para-chloroacetophenone

1-(4-(3-hydroxy-3-methylbutoxy)phenyl)ethan-1-one

1-(4-(3-hydroxy-3-methylbutoxy)phenyl)ethan-1-one

Conditions
ConditionsYield
With (4,4′-di-tert-butyl-2,2′-dipyridyl)Ni(o-tolyl)(Br); 1,8-diazabicyclo[5.4.0]undec-7-ene In toluene at 80℃; for 24h; Inert atmosphere; Sealed tube; UV-irradiation;91%
3-methyl-butane-1,3-diol
2568-33-4

3-methyl-butane-1,3-diol

N-[(2Z)-3-butyl[1,3]thiazolo[4,5-c]pyridin-2(3H)-ylidene]-2-fluoro-5-(trifluoromethyl)benzamide
1231955-35-3

N-[(2Z)-3-butyl[1,3]thiazolo[4,5-c]pyridin-2(3H)-ylidene]-2-fluoro-5-(trifluoromethyl)benzamide

N-[(2Z)-3-butyl[1,3]thiazolo[4,5-c]pyridin-2(3H)-ylidene]-2-(3-hydroxy-3-methylbutoxy)-5-(trifluoromethyl)benzamide
1231955-09-1

N-[(2Z)-3-butyl[1,3]thiazolo[4,5-c]pyridin-2(3H)-ylidene]-2-(3-hydroxy-3-methylbutoxy)-5-(trifluoromethyl)benzamide

Conditions
ConditionsYield
Stage #1: 3-methyl-butane-1,3-diol With sodium hydride In tetrahydrofuran; mineral oil at 20℃; for 0.333333h;
Stage #2: N-[(2Z)-3-butyl[1,3]thiazolo[4,5-c]pyridin-2(3H)-ylidene]-2-fluoro-5-(trifluoromethyl)benzamide In tetrahydrofuran; mineral oil at 0 - 5℃; for 0.333333h;
90%
Stage #1: 3-methyl-butane-1,3-diol With sodium t-butanolate In tetrahydrofuran at 0 - 5℃; for 0.5h;
Stage #2: N-[(2Z)-3-butyl[1,3]thiazolo[4,5-c]pyridin-2(3H)-ylidene]-2-fluoro-5-(trifluoromethyl)benzamide In tetrahydrofuran at 0℃; for 4h;
72%
3-methyl-butane-1,3-diol
2568-33-4

3-methyl-butane-1,3-diol

1-benzoylimidazole
10364-94-0

1-benzoylimidazole

(3-hydroxy-3-methylbutyl) benzoate
5205-04-9

(3-hydroxy-3-methylbutyl) benzoate

Conditions
ConditionsYield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In acetonitrile at 50℃; for 8h; regioselective reaction;90%
3-methyl-butane-1,3-diol
2568-33-4

3-methyl-butane-1,3-diol

methacrylic acid methyl ester
80-62-6

methacrylic acid methyl ester

3-methylbutane-1,3-diyl bis(2-methylacrylate)

3-methylbutane-1,3-diyl bis(2-methylacrylate)

Conditions
ConditionsYield
With 10H-phenothiazine at 120℃; for 9h; Reagent/catalyst;90%
With 10H-phenothiazine; N,N'-bis(salicylidene)ethylenediamine iron(II) at 100 - 105℃; for 11h; Molecular sieve;
With 10H-phenothiazine; (μ-oxo)bis[(1,2-ethanediamino-N,N'-bis(salicylidene))iron(III)] at 100 - 120℃; under 760.051 Torr; for 11h; Reagent/catalyst; Molecular sieve;99.99 %Chromat.
3-methyl-butane-1,3-diol
2568-33-4

3-methyl-butane-1,3-diol

4-cyano-N,N,N-trimethylanilinium trifluoromethansulfonate

4-cyano-N,N,N-trimethylanilinium trifluoromethansulfonate

4-(3-hydroxy-3-methylbutoxy)benzonitrile

4-(3-hydroxy-3-methylbutoxy)benzonitrile

Conditions
ConditionsYield
Stage #1: 3-methyl-butane-1,3-diol With potassium hexamethylsilazane In tetrahydrofuran; N,N-dimethyl-formamide at 25℃; for 0.166667h; Inert atmosphere; Schlenk technique;
Stage #2: 4-cyano-N,N,N-trimethylanilinium trifluoromethansulfonate In tetrahydrofuran; N,N-dimethyl-formamide at 25℃; for 3h; Inert atmosphere; Schlenk technique;
90%
3-methyl-butane-1,3-diol
2568-33-4

3-methyl-butane-1,3-diol

methacrylic acid methyl ester
80-62-6

methacrylic acid methyl ester

3-methyl-3-hydroxy-1-butyl methacrylate
114349-53-0

3-methyl-3-hydroxy-1-butyl methacrylate

Conditions
ConditionsYield
With TEMPOL; magnesium ethylate at 100 - 130℃; for 16h;89.3%
With 4,4'-di-tert-butylbiphenyl; toluene-4-sulfonic acid at 80℃; for 3h; Temperature; Schlenk technique; Molecular sieve;3%
With 10H-phenothiazine; Tridecane; N,N'-bis(salicylidene)ethylenediamine iron(II) at 100 - 120℃; for 1h;
3-methyl-butane-1,3-diol
2568-33-4

3-methyl-butane-1,3-diol

5,5-dimethyl-oxazolidin-2-one
1121-83-1

5,5-dimethyl-oxazolidin-2-one

Conditions
ConditionsYield
With sodium azide; (Dichloroiodo)benzene In ethyl acetate at 0 - 80℃; for 12h; Concentration; Curtius Rearrangement; Inert atmosphere;89%
3-methyl-butane-1,3-diol
2568-33-4

3-methyl-butane-1,3-diol

benzyl bromide
100-39-0

benzyl bromide

1-O-benzyl-3-methyl-1,3-butanediol
138432-95-8

1-O-benzyl-3-methyl-1,3-butanediol

Conditions
ConditionsYield
With tris(2,6-dimethylheptane-3,5-dionato)iron(III); potassium carbonate In acetonitrile at 80℃; for 24h; regioselective reaction;88%
With sodium hydride In mineral oil
3-methyl-butane-1,3-diol
2568-33-4

3-methyl-butane-1,3-diol

4-(α-bromo-isobutyrylamino)-benzoic acid

4-(α-bromo-isobutyrylamino)-benzoic acid

3-hydroxy-3-methylbutyl 4-(2-bromo-2-methylpropanamido)benzoate

3-hydroxy-3-methylbutyl 4-(2-bromo-2-methylpropanamido)benzoate

Conditions
ConditionsYield
Stage #1: 4-(α-bromo-isobutyrylamino)-benzoic acid With dmap; triethylamine; 1,1'-carbonyldiimidazole In dichloromethane at 20℃; for 3h; Inert atmosphere;
Stage #2: 3-methyl-butane-1,3-diol In dichloromethane at 20℃; for 14h; Inert atmosphere;
88%
Stage #1: 4-(α-bromo-isobutyrylamino)-benzoic acid With dmap; triethylamine; 1,1'-carbonyldiimidazole In dichloromethane at 20℃; for 3h;
Stage #2: 3-methyl-butane-1,3-diol In dichloromethane at 20℃; for 14h;
65%
3-methyl-butane-1,3-diol
2568-33-4

3-methyl-butane-1,3-diol

allyl bromide
106-95-6

allyl bromide

4-(allyloxy)-2-methylbutan-2-ol
126179-66-6

4-(allyloxy)-2-methylbutan-2-ol

Conditions
ConditionsYield
With potassium hydroxide In tetrahydrofuran at 70℃; for 16.5h;88%
3-methyl-butane-1,3-diol
2568-33-4

3-methyl-butane-1,3-diol

carbonic acid dimethyl ester
616-38-6

carbonic acid dimethyl ester

A

1,1-dimethyl-trimethylene carbonate
32368-09-5

1,1-dimethyl-trimethylene carbonate

B

C7H14O4
1413918-02-1

C7H14O4

Conditions
ConditionsYield
at 80 - 120℃; for 72h; Product distribution / selectivity;A 86.3%
B 11.6%
3-methyl-butane-1,3-diol
2568-33-4

3-methyl-butane-1,3-diol

bis(diethylamino)dimethylsilane
4669-59-4

bis(diethylamino)dimethylsilane

2,2,4,4-tetramethyl-1,3-dioxa-2-silacyclo-hexane
77181-38-5

2,2,4,4-tetramethyl-1,3-dioxa-2-silacyclo-hexane

Conditions
ConditionsYield
In 1,4-dioxane Heating;86%

2568-33-4Relevant articles and documents

Microwave-assisted acid-induced formation of linker vacancies within Zr-based metal organic frameworks with enhanced heterogeneous catalysis

Liang, Yu,Li, Chenhui,Chen, Lanjun,Huo, Jia,Loubidi, Mohammed,Zhou, Yangyang,Liu, Yanbo

, p. 787 - 790 (2021)

Herein, we report a microwave-assisted acid-induced post-treatment method for the formation of linker vacancies within Zr-based metal organic frameworks (Zr-MOFs). The number of linker vacancies can be easily regulated with this method by changing the concentration of the HCl solution and the duration of microwave irradiation. The optimized defective UiO-66 showed higher linker defects with a higher specific surface area and thermal stability. The results of the catalytic cyclization of citronella showed that the Zr-MOFs with more defects exhibited enhanced catalytic performance. This work may provide a new method for the creation of defective MOFs with high activity and stability.

-

Gey et al.

, p. 2354,2365 (1957)

-

Conversion of Isobutene and Formaldehyde to Diol using Praseodymium-Doped CeO2 Catalyst

Zhang, Zhixin,Wang, Yehong,Lu, Jianmin,Zhang, Chaofeng,Wang, Min,Li, Mingrun,Liu, Xuebin,Wang, Feng

, p. 8248 - 8254 (2016)

Conversion of low-carbon olefins to higher alcohols or olefins via the formation of C-C bonds is an increasingly important topic. We herein report an example of converting isobutene and formaldehyde (38 wt % aqueous solution) to 3-methyl-1,3-butanediol (MBD), a precursor for isoprene. The reaction occurs through a Prins condensation-hydrolysis reaction over a praseodymium (Pr)-doped CeO2 catalyst. The best MBD yield (70%) is achieved over the Pr-doped CeO2 catalyst. Catalyst characterizations with high-angle annular dark field transmission electron microscopy (HAADF-TEM), pyridine adsorption infrared (IR) and Raman spectroscopy, and density functional theory (DFT) calculations show that the doped Pr is uniformly and highly dispersed in the CeO2 crystalline phase. In addition, the Pr doping creates more oxygen vacancy sites on CeO2 and thus enhances the Lewis acidity of the catalyst, which is responsible for the catalytic performance of the Pr-CeO2 catalyst. (Chemical Equation Presented).

KINETICS AND MECHANISM OF HYDRATION OF 3-METHYL-3-BUTEN-1-OL IN AQUEOUS SOLUTIONS OF SULFURIC ACID

Ryabova, R. S.,Osipova, G. F.,Vinnik, M. I.

, p. 886 - 888 (1988)

-

Method for preparing 3 - methyl -1 and 3 - butanediol

-

Paragraph 0037; 0039; 0040; 0042; 0043; 0045; 0046; ..., (2021/06/02)

The present invention relates to a preparation method of 3-methyl-1,3-butanediol. The 3-methyl-1,3-butanediol is prepared from isobutylene and a formaldehyde aqueous solution as reaction substrates byPrins condensation and hydrolysis process under the action of a doped ceria catalyst. A specific reaction process is as follows: a certain amount of the isobutylene, the formaldehyde aqueous solutionwith a certain concentration and a certain amount of the doped ceria catalyst are mixed and put into a container for sealing, stirring at temperature not lower than 60DEG C for reacting for 0.5h or more, and separating to obtain the 3-methyl-1,3-butanediol. The preparation method has the advantages that the product and the catalyst are simple to separate, the catalyst can be recycled, the reaction process is simple, controllable and easy to operate, and the yield of the 3-methyl-1,3-butanediol is up to 95%.

Hydrogenation of CO2-Derived Carbonates and Polycarbonates to Methanol and Diols by Metal–Ligand Cooperative Manganese Catalysis

Zubar, Viktoriia,Lebedev, Yury,Azofra, Luis Miguel,Cavallo, Luigi,El-Sepelgy, Osama,Rueping, Magnus

supporting information, p. 13439 - 13443 (2018/09/21)

The first base-metal-catalysed hydrogenation of CO2-derived carbonates to alcohols is presented. The reaction proceeds under mild conditions in the presence of a well-defined manganese complex with a loading as low as 0.25 mol %. The non-precious-metal homogenous catalytic system provides an indirect route for the conversion of CO2 into methanol with the co-production of value-added (vicinal) diols in yields of up to 99 %. Experimental and computational studies indicate a metal–ligand cooperative catalysis mechanism.

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