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630-19-3

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630-19-3 Usage

Description

Trimethylacetaldehyde (also known as Pivaldehyde) is the trimethyl form of acetaldehyde. It is an aldehyde with a sterically bulky R group, the tertiary-butyl group being attached to the carbonyl, >C=O. It is a useful reagent in organic synthesis, pharmaceuticals, agrochemicals and dyestuff. It is useful in streoselective synthesis application as well as in aldol condensation reactions. As a derivative of acetaldehyde, trimethyl acetaldehyde can be used for the production of acetate. It can also be used as the precursor for manufacturing of pyridine derivatives, pentaerythritol, and crotonaldehyde.

Chemical Properties

Clear colorless liquid

Uses

Different sources of media describe the Uses of 630-19-3 differently. You can refer to the following data:
1. Commonly used building block in aldol condensation reactions.
2. Trimethylacetaldehyde is used as a stereoselective synthesis application. It is also used as a building block used in aldol condensation reactions. It is an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals and Dyestuff.

References

Ho, Tse Lok, et al. Pivaldehyde. Fieser and Fieser's Reagents for Organic Synthesis. John Wiley & Sons, Inc. 2006. https://en.wikipedia.org/wiki/Acetaldehyde#Uses https://en.wikipedia.org/wiki/Pivaldehyde https://www.alfa.com/en/catalog/A15013/

Check Digit Verification of cas no

The CAS Registry Mumber 630-19-3 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 6,3 and 0 respectively; the second part has 2 digits, 1 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 630-19:
(5*6)+(4*3)+(3*0)+(2*1)+(1*9)=53
53 % 10 = 3
So 630-19-3 is a valid CAS Registry Number.
InChI:InChI=1/C5H10O/c1-5(2,3)4-6/h4H,1-3H3

630-19-3 Well-known Company Product Price

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  • TCI America

  • (P0847)  Pivalaldehyde  >95.0%(GC)

  • 630-19-3

  • 5mL

  • 390.00CNY

  • Detail
  • TCI America

  • (P0847)  Pivalaldehyde  >95.0%(GC)

  • 630-19-3

  • 25mL

  • 1,200.00CNY

  • Detail
  • Alfa Aesar

  • (A15013)  Trimethylacetaldehyde, 95%   

  • 630-19-3

  • 5g

  • 556.0CNY

  • Detail
  • Alfa Aesar

  • (A15013)  Trimethylacetaldehyde, 95%   

  • 630-19-3

  • 25g

  • 1854.0CNY

  • Detail
  • Alfa Aesar

  • (A15013)  Trimethylacetaldehyde, 95%   

  • 630-19-3

  • 100g

  • 3573.0CNY

  • Detail

630-19-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name Trimethylacetaldehyde

1.2 Other means of identification

Product number -
Other names Propanal, 2,2-dimethyl-

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:630-19-3 SDS

630-19-3Synthetic route

2,2-dimethyl-1-pyrrol-1-yl-propan-1-ol

2,2-dimethyl-1-pyrrol-1-yl-propan-1-ol

A

pyrrole
109-97-7

pyrrole

B

pivalaldehyde
630-19-3

pivalaldehyde

Conditions
ConditionsYield
With sodium methylate In tetrahydrofuran at 20℃; for 12h; Product distribution; Further Variations:; Reagents; reaction time;A n/a
B 100%
2,6-di-tert-butyl-4-phenyl-6H-1,3,5-oxathiazine S-oxide

2,6-di-tert-butyl-4-phenyl-6H-1,3,5-oxathiazine S-oxide

A

3,5-diphenyl-[1,2,4]thiadiazole
4115-15-5

3,5-diphenyl-[1,2,4]thiadiazole

B

pivalaldehyde
630-19-3

pivalaldehyde

Conditions
ConditionsYield
In chloroform-d1 at 25℃; for 800h;A 100%
B 100%
(2,2-Dimethyl-propylidene)-triphenyl-λ5-phosphane
3739-96-6

(2,2-Dimethyl-propylidene)-triphenyl-λ5-phosphane

pivalaldehyde
630-19-3

pivalaldehyde

Conditions
ConditionsYield
With trioxo(N-tert-butylimido)osmium(VIII)100%
2,2-dimethyl-propanol-1
75-84-3

2,2-dimethyl-propanol-1

4,4'-Dimethoxybenzhydrol
728-87-0

4,4'-Dimethoxybenzhydrol

A

4,4'-dianisylmethane
726-18-1

4,4'-dianisylmethane

B

pivalaldehyde
630-19-3

pivalaldehyde

Conditions
ConditionsYield
With o-benzenedisulfonimide at 80℃; for 8h;A 100%
B n/a
[(S)-Tol-BINAP]Pd(o-C6H4CN)(OCH2CMe3)
210693-60-0

[(S)-Tol-BINAP]Pd(o-C6H4CN)(OCH2CMe3)

A

pivalaldehyde
630-19-3

pivalaldehyde

B

2-(neopentyloxy)benzonitrile

2-(neopentyloxy)benzonitrile

Conditions
ConditionsYield
Kinetics; inert atm.; thermal decompn. (62°C);A <2
B 99%
Trimethylacetic acid
75-98-9

Trimethylacetic acid

pivalaldehyde
630-19-3

pivalaldehyde

Conditions
ConditionsYield
With thexylchloroborane-Me2SO4 In dichloromethane for 3h; Ambient temperature;98%
With thexylbromoborane dimethyl sulfide complex In carbon disulfide; dichloromethane at -20 - 20℃; for 1h;89%
With 9-borabicyclo[3.3.1]nonane dimer; lithium dihydrido borata-bicyclo[3.3.0]nonane In tetrahydrofuran for 1h; Ambient temperature;85%
2,2-dimethyl-propanol-1
75-84-3

2,2-dimethyl-propanol-1

diethylazodicarboxylate
1972-28-7

diethylazodicarboxylate

A

diethyl hydrazodicarboxylate
4114-28-7

diethyl hydrazodicarboxylate

B

pivalaldehyde
630-19-3

pivalaldehyde

Conditions
ConditionsYield
With zinc dibromide In toluene for 2.5h; Reflux;A n/a
B 90%
2-Methylbutyraldehyde
96-17-3, 57456-98-1

2-Methylbutyraldehyde

isoprene
78-79-5

isoprene

A

3-methyl-butan-2-one
563-80-4

3-methyl-butan-2-one

B

2-methyl-but-2-ene
513-35-9

2-methyl-but-2-ene

C

3-Methyl-1-butene
563-45-1

3-Methyl-1-butene

D

pivalaldehyde
630-19-3

pivalaldehyde

E

C2-C4 hydrocarbons

C2-C4 hydrocarbons

Conditions
ConditionsYield
With steam; calcium phosphate catalyst TU 103-134-72 at 380℃; Product distribution; Rate constant; Kinetics; other conditions - var. space velocity of adding reagent, var. dilution with steam, var. temp., var. contact time, other object - activation energy data;;A 8.2%
B n/a
C n/a
D 0.6%
E n/a
<(2-methyl-1-propenyl)oxy>tri-n-butylstannane
17198-92-4

<(2-methyl-1-propenyl)oxy>tri-n-butylstannane

pivalaldehyde
630-19-3

pivalaldehyde

Conditions
ConditionsYield
With methyl iodide for 14 h at 90°C;86%
With CH3I for 14 h at 90°C;86%
pivaloyl chloride
3282-30-2

pivaloyl chloride

pivalaldehyde
630-19-3

pivalaldehyde

Conditions
ConditionsYield
With ammonium hydroxide; formic acid In diethyl ether; chloroform for 0.333333h; Ambient temperature;85%
With 5%-palladium/activated carbon; hydrogen; N-ethyl-N,N-diisopropylamine In acetonitrile at 20 - 60℃; for 1h; Reagent/catalyst; Solvent; Autoclave;73%
With tri-n-butyl-tin hydride; PdCl(COPh)(PPh3)2 In toluene at 65℃;65%
6'-(tert-butyl)spiro-5'-one
88919-73-7

6'-(tert-butyl)spiro-5'-one

A

cyclohexanone
108-94-1

cyclohexanone

B

pivalaldehyde
630-19-3

pivalaldehyde

Conditions
ConditionsYield
With flash-vacuum thermolysis (FVY) at 400℃; Mechanism; other 3,6-substituted 1,2,4-trioxan-5-ones, also electron-transfer agents, var. conditions;A 85%
B 32%
[2,5-Di-tert-butyl-[1,4,2]dioxazolidin-(3Z)-ylidene]-phenyl-amine
99948-61-5

[2,5-Di-tert-butyl-[1,4,2]dioxazolidin-(3Z)-ylidene]-phenyl-amine

A

N-tert-butyl-N-hydroxy-N'-phenylurea
29586-31-0

N-tert-butyl-N-hydroxy-N'-phenylurea

B

pivalaldehyde
630-19-3

pivalaldehyde

Conditions
ConditionsYield
With sulfuric acid In tetrahydrofuran for 2h; Ambient temperature;A 85%
B n/a
C14H25NOS

C14H25NOS

A

N,N-(diallyl)thiopropionamide
1283722-06-4

N,N-(diallyl)thiopropionamide

B

pivalaldehyde
630-19-3

pivalaldehyde

Conditions
ConditionsYield
With C9H11(1-)*Cu(1+)*C34H36P2*C14H20O2 In tetrahydrofuran at -70℃; for 24h; enantioselective reaction;A 84%
B n/a
2,2-dimethyl-propanol-1
75-84-3

2,2-dimethyl-propanol-1

tetraphenyl-bismuth trifluoroacetate
83566-43-2

tetraphenyl-bismuth trifluoroacetate

pivalaldehyde
630-19-3

pivalaldehyde

Conditions
ConditionsYield
With N-t-Bu-N',N',N'',N''-Me4-guanidine In benzene-d6 100 min room temp. (Ar); monitored by (1)H NMR;83%
With N-t-Bu-N',N',N'',N''-Me4-guanidine In benzene-d6 7.5 h at room temp.; monitored by (1)H NMR;
α-hydroxy-1-neopentyl phenyl ketone
56346-02-2

α-hydroxy-1-neopentyl phenyl ketone

pivalaldehyde
630-19-3

pivalaldehyde

Conditions
ConditionsYield
trifluorormethanesulfonic acid In dichloromethane for 16h; Ambient temperature;82%
(dppf)Pd(p-C6H4NO2)(OCH2CMe3)
210693-64-4

(dppf)Pd(p-C6H4NO2)(OCH2CMe3)

A

4-(2,2-dimethylpropyloxy)nitrobenzene
14225-16-2

4-(2,2-dimethylpropyloxy)nitrobenzene

B

pivalaldehyde
630-19-3

pivalaldehyde

Conditions
ConditionsYield
Kinetics; inert atm.; thermal decompn. (23°C);A 81%
B 12%
trimethylpyruvic acid
815-17-8

trimethylpyruvic acid

pivalaldehyde
630-19-3

pivalaldehyde

Conditions
ConditionsYield
With quinoline; copper at 175℃; for 1h;77%
With diphenylamine at 150 - 200℃;
With aniline
2,2-dimethyl-3-hydroxypropionaldehyde
597-31-9

2,2-dimethyl-3-hydroxypropionaldehyde

pivalaldehyde
630-19-3

pivalaldehyde

Conditions
ConditionsYield
With triethyl borane; trifluorormethanesulfonic acid In 1,1,2-Trichloro-1,2,2-trifluoroethane a) -30 deg C, 30 min, b) room temperature, 6 h;74%
(dppf)Pd(m-C6H4CN)(OCH2CMe3)
210693-65-5

(dppf)Pd(m-C6H4CN)(OCH2CMe3)

A

m-neopentoxybenzonitrile

m-neopentoxybenzonitrile

B

pivalaldehyde
630-19-3

pivalaldehyde

Conditions
ConditionsYield
Kinetics; inert atm.; thermal decompn. (47°C);A <2
B 73%
2,2-dimethylpropionamide
754-10-9

2,2-dimethylpropionamide

pivalaldehyde
630-19-3

pivalaldehyde

Conditions
ConditionsYield
With lithium-tris(diethylamino)hydridoaluminate In tetrahydrofuran for 12h; Ambient temperature;72%
1-[(2,2-Dimethyl-propionyl)-methyl-amino]-3-methyl-3H-imidazol-1-ium; iodide

1-[(2,2-Dimethyl-propionyl)-methyl-amino]-3-methyl-3H-imidazol-1-ium; iodide

pivalaldehyde
630-19-3

pivalaldehyde

Conditions
ConditionsYield
With diisobutylaluminium hydride In tetrahydrofuran at -10 - 20℃; for 0.5h;70%
pivalaldehyde
630-19-3

pivalaldehyde

acetone
67-64-1

acetone

4-hydroxy-2,2-dimethyl-6-heptanone
101713-95-5

4-hydroxy-2,2-dimethyl-6-heptanone

Conditions
ConditionsYield
With sodium hydroxide at 20℃;100%
Stage #1: acetone With sodium hydroxide In water at 20℃; Microfluidic conditions;
Stage #2: pivalaldehyde; acetone In water at 20℃; Microfluidic conditions;
100%
With n-butyllithium; diisopropylamine In tetrahydrofuran at -78℃; for 0.583333h;47%
pivalaldehyde
630-19-3

pivalaldehyde

3-methyl-butan-2-one
563-80-4

3-methyl-butan-2-one

Conditions
ConditionsYield
With fluoroboric acid Rearrangement;100%
With gallium(III) trichloride; methyl cyclohexane In 1,2-dichloro-ethane at 20℃; for 1h;61%
With hydrogenchloride In water at 250℃; under 37503.8 Torr; for 1h; Sealed tube; Inert atmosphere;59%
pivalaldehyde
630-19-3

pivalaldehyde

2,4,6-tris(tert-butyl)-1,3,5-trioxane
53607-03-7

2,4,6-tris(tert-butyl)-1,3,5-trioxane

Conditions
ConditionsYield
With dodecatungstosilic acid for 2.5h; Ambient temperature;100%
With beryllium(II) chloride at 20℃; for 17h; Glovebox; Schlenk technique; Inert atmosphere; Sealed tube;100%
With indium(III) chloride at 20℃; for 0.0833333h;90%
diethoxyphosphoryl-acetic acid ethyl ester
867-13-0

diethoxyphosphoryl-acetic acid ethyl ester

pivalaldehyde
630-19-3

pivalaldehyde

3-tert-butyl-acrylic acid ethyl ester
87995-20-8

3-tert-butyl-acrylic acid ethyl ester

Conditions
ConditionsYield
Stage #1: diethoxyphosphoryl-acetic acid ethyl ester With sodium hydride In tetrahydrofuran Cooling with ice;
Stage #2: pivalaldehyde In tetrahydrofuran at 20℃; for 48h;
Stage #3: With ammonium chloride In tetrahydrofuran; water
100%
(i) NaH, Et2O, (ii) /BRN= 506060/; Multistep reaction;
Stage #1: diethoxyphosphoryl-acetic acid ethyl ester With sodium hydride In tetrahydrofuran at 0℃; Inert atmosphere;
Stage #2: pivalaldehyde In tetrahydrofuran at 0 - 20℃; Inert atmosphere;
With sodium tert-pentoxide at 0 - 20℃; for 1h; Horner-Wadsworth-Emmons Olefination; Green chemistry;
With sodium hydride In tetrahydrofuran at 0℃; Inert atmosphere;
1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

pivalaldehyde
630-19-3

pivalaldehyde

1-Benzotriazol-1-yl-2,2-dimethyl-propan-1-ol
111507-83-6

1-Benzotriazol-1-yl-2,2-dimethyl-propan-1-ol

Conditions
ConditionsYield
at 25℃;100%
α,α-adamantylidene-N-methyl nitrone
57777-70-5

α,α-adamantylidene-N-methyl nitrone

pivalaldehyde
630-19-3

pivalaldehyde

A

2-Adamantanone
700-58-3

2-Adamantanone

B

N-Methyl-(2,2-dimethylpropylidene)amine N-oxide
66251-86-3, 127872-10-0

N-Methyl-(2,2-dimethylpropylidene)amine N-oxide

Conditions
ConditionsYield
In tetrahydrofuran for 5.5h; Heating;A n/a
B 100%
ethyl 2-(1,3-dithiolan-2-ylidene)-3-oxobutanoate
2080-44-6

ethyl 2-(1,3-dithiolan-2-ylidene)-3-oxobutanoate

pivalaldehyde
630-19-3

pivalaldehyde

(E)-2-[1,3]Dithiolan-2-ylidene-6,6-dimethyl-3-oxo-hept-4-enoic acid
133286-24-5

(E)-2-[1,3]Dithiolan-2-ylidene-6,6-dimethyl-3-oxo-hept-4-enoic acid

Conditions
ConditionsYield
With sodium hydride In tetrahydrofuran for 5h; Ambient temperature;100%
With sodium hydroxide In ethanol at 20℃; for 9h;64%
pivalaldehyde
630-19-3

pivalaldehyde

phenylacetylene
536-74-3

phenylacetylene

4,4-dimethyl-1-phenyl-pent-1-yn-3-ol
132350-97-1, 29586-01-4

4,4-dimethyl-1-phenyl-pent-1-yn-3-ol

Conditions
ConditionsYield
phosphazene base-P4-tert-butyl In hexane; dimethyl sulfoxide at 20℃; for 2h;100%
With n-butyllithium In tetrahydrofuran; hexane at 0 - 20℃;99%
With dimethyl zinc(II); (1R,2S)-cis-1-amino-2-indenol-derived oxazolidine In n-heptane; toluene at -15℃; for 48h;99%
pivalaldehyde
630-19-3

pivalaldehyde

neopentyl pivalate
5340-26-1

neopentyl pivalate

Conditions
ConditionsYield
With (pentamethylcyclopentadienyl)2LaCH(TMS)2 In benzene at 60℃; for 72h; Mechanism; other aldehydes; also with Nd catalyst;100%
With calcium bis{bis(trimethylsilyl)amide} In benzene at 20℃; for 24h; Tishchenko reaction;96%
With diisobutylaluminium hydride In hexane; pentane at 20℃; for 5h; Tishchenko reaction;95%
pivalaldehyde
630-19-3

pivalaldehyde

(R)-3-aminobutanoic acid methyl ester
161688-97-7

(R)-3-aminobutanoic acid methyl ester

(R)-3-<(2',2'-dimethylpropyliden)amino>-N-methylbutanamide

(R)-3-<(2',2'-dimethylpropyliden)amino>-N-methylbutanamide

Conditions
ConditionsYield
With triethylamine In dichloromethane for 7h; Heating;100%
(R)-2-hydroxylbutanoic acid
20016-85-7

(R)-2-hydroxylbutanoic acid

pivalaldehyde
630-19-3

pivalaldehyde

(2R,5R)-2-(tert-butyl)-5-ethyl-1,3-dioxolan-4-one
115860-85-0

(2R,5R)-2-(tert-butyl)-5-ethyl-1,3-dioxolan-4-one

Conditions
ConditionsYield
With boron trifluoride diethyl etherate In diethyl ether at -30 - -20℃; for 3h; Inert atmosphere;100%
With toluene-4-sulfonic acid In pentane for 2.5h; Inert atmosphere; Reflux;99%
With sulfuric acid; toluene-4-sulfonic acid In dichloromethane for 6h; Heating; Yield given;
chloro-trimethyl-silane
75-77-4

chloro-trimethyl-silane

tri-n-butyl(1-pentynyl)tin
86633-17-2

tri-n-butyl(1-pentynyl)tin

pivalaldehyde
630-19-3

pivalaldehyde

(1-tert-Butyl-hex-2-ynyloxy)-trimethyl-silane

(1-tert-Butyl-hex-2-ynyloxy)-trimethyl-silane

Conditions
ConditionsYield
With indium(III) chloride In acetonitrile at 25℃; for 0.5h;100%
pivalaldehyde
630-19-3

pivalaldehyde

(3R*,5S*)-3,5-dihydroxyundecane

(3R*,5S*)-3,5-dihydroxyundecane

(2R*,4R*,6S*)-2-tert-butyl-4-ethyl-6-hexyl-1,3-dioxane

(2R*,4R*,6S*)-2-tert-butyl-4-ethyl-6-hexyl-1,3-dioxane

Conditions
ConditionsYield
With scandium tris(trifluoromethanesulfonate) In dichloromethane for 4h; Heating;100%
pivalaldehyde
630-19-3

pivalaldehyde

bis(2-pyridyldimethylsilyl)methane
243468-48-6

bis(2-pyridyldimethylsilyl)methane

(E)-2-pyridyldimethyl(3,3-dimethylbut-1-enyl)silane

(E)-2-pyridyldimethyl(3,3-dimethylbut-1-enyl)silane

Conditions
ConditionsYield
Stage #1: bis(2-pyridyldimethylsilyl)methane With n-butyllithium In diethyl ether; hexane at -78℃; Metallation;
Stage #2: pivalaldehyde In diethyl ether; hexane at -78 - 20℃; Peterson-type olefination; Further stages.;
100%
Stage #1: bis(2-pyridyldimethylsilyl)methane With n-butyllithium In diethyl ether; hexane at -78℃; for 1h;
Stage #2: pivalaldehyde In diethyl ether; hexane at -78 - 20℃; for 1.5h; Peterson-type olefination;
(E)-3-ethoxyacrylonitrile
58243-08-6

(E)-3-ethoxyacrylonitrile

pivalaldehyde
630-19-3

pivalaldehyde

(Z)-2-cyano-1-ethoxy-4,4-dimethylpenten-3-ol
403719-50-6

(Z)-2-cyano-1-ethoxy-4,4-dimethylpenten-3-ol

Conditions
ConditionsYield
Stage #1: (E)-3-ethoxyacrylonitrile With 2,2,6,6-tetramethylpiperidinyl-lithium In tetrahydrofuran at -78℃;
Stage #2: pivalaldehyde In tetrahydrofuran at -78℃;
100%
pivalaldehyde
630-19-3

pivalaldehyde

(2-amino-5-chlorophenyl)(phenyl)methanol
1159372-20-9

(2-amino-5-chlorophenyl)(phenyl)methanol

{5-chloro-2-[(2,2-dimethylpropyl)amino]phenyl}-(phenyl)methanol
184882-04-0

{5-chloro-2-[(2,2-dimethylpropyl)amino]phenyl}-(phenyl)methanol

Conditions
ConditionsYield
With sodium cyanoborohydride; acetic acid In methanol at 20℃;100%
With sodium tetrahydroborate; acetic acid45%
pivalaldehyde
630-19-3

pivalaldehyde

(2-amino-4-chloro-phenyl)-(2-chloro-phenyl)-methanol
152911-53-0

(2-amino-4-chloro-phenyl)-(2-chloro-phenyl)-methanol

[4-chloro-2-(2,2-dimethyl-propylamino)-phenyl]-(2-chloro-phenyl)-methanol
152911-70-1

[4-chloro-2-(2,2-dimethyl-propylamino)-phenyl]-(2-chloro-phenyl)-methanol

Conditions
ConditionsYield
With sodium cyanoborohydride; acetic acid In methanol at 20℃;100%
pivalaldehyde
630-19-3

pivalaldehyde

2-(2-amino-5-chlorophenyl)-2-(2-chlorophenyl)ethanol
165952-46-5

2-(2-amino-5-chlorophenyl)-2-(2-chlorophenyl)ethanol

2-(5-chloro-2-neopentylaminophenyl)-2-(2-chlorophenyl)ethanol
165952-47-6

2-(5-chloro-2-neopentylaminophenyl)-2-(2-chlorophenyl)ethanol

Conditions
ConditionsYield
Stage #1: pivalaldehyde; 2-(2-amino-5-chlorophenyl)-2-(2-chlorophenyl)ethanol With acetic acid In methanol at 20℃; for 0.5h;
Stage #2: With sodium cyanoborohydride In methanol at 20℃; for 1h;
100%
pivalaldehyde
630-19-3

pivalaldehyde

(2-amino-5-chloro-phenyl)-(2,6-dimethoxy-phenyl)-methanol
152911-49-4

(2-amino-5-chloro-phenyl)-(2,6-dimethoxy-phenyl)-methanol

[5-chloro-2-(2,2-dimethyl-propylamino)-phenyl]-(2,6-dimethoxy-phenyl)-methanol
152911-66-5

[5-chloro-2-(2,2-dimethyl-propylamino)-phenyl]-(2,6-dimethoxy-phenyl)-methanol

Conditions
ConditionsYield
With sodium cyanoborohydride; acetic acid In methanol at 20℃;100%
pivalaldehyde
630-19-3

pivalaldehyde

(+/-)-2-amino-5-chloro-α-(2,3-dimethoxyphenyl)benzyl alcohol
152911-54-1

(+/-)-2-amino-5-chloro-α-(2,3-dimethoxyphenyl)benzyl alcohol

[5-chloro-2-(2,2-dimethylpropylamino)phenyl]-(2,3-dimethoxyphenyl)methanol
152911-75-6

[5-chloro-2-(2,2-dimethylpropylamino)phenyl]-(2,3-dimethoxyphenyl)methanol

Conditions
ConditionsYield
With sodium cyanoborohydride; acetic acid In methanol at 20℃; for 1h;100%
pivalaldehyde
630-19-3

pivalaldehyde

aniline
62-53-3

aniline

N-neopentylaniline
7210-81-3

N-neopentylaniline

Conditions
ConditionsYield
With phosphotungstic acid; sodium tetrahydroborate In methanol100%
With ammonium formate; palladium on activated charcoal In water; isopropyl alcohol at 20℃; for 0.5h;97%
With [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2; diphenylsilane In dichloromethane at 20℃; for 4h; Molecular sieve; chemoselective reaction;84%
pivalaldehyde
630-19-3

pivalaldehyde

Merrifield resin, 1 percent DVB cross-linking, DF 11 percent

Merrifield resin, 1 percent DVB cross-linking, DF 11 percent

t-BuCHO-modified Merrifield resin, 1 percent DVB cross-linking, DF 11 percent

t-BuCHO-modified Merrifield resin, 1 percent DVB cross-linking, DF 11 percent

Conditions
ConditionsYield
Stage #1: Merrifield resin, 1 percent DVB cross-linking, DF 11 percent With 4,4'-di-tert-butylbiphenyl; lithium In tetrahydrofuran at 20℃; for 24h;
Stage #2: pivalaldehyde In tetrahydrofuran at -40℃; for 24h;
Stage #3: With water In tetrahydrofuran
100%
pivalaldehyde
630-19-3

pivalaldehyde

Merrifield resin, 2 percent DVB cross-linking, DF 57 percent

Merrifield resin, 2 percent DVB cross-linking, DF 57 percent

t-BuCHO-modified Merrifield resin, 2 percent DVB cross-linking, DF 57 percent

t-BuCHO-modified Merrifield resin, 2 percent DVB cross-linking, DF 57 percent

Conditions
ConditionsYield
Stage #1: Merrifield resin, 2 percent DVB cross-linking, DF 57 percent With 4,4'-di-tert-butylbiphenyl; lithium In tetrahydrofuran at 20℃; for 24h;
Stage #2: pivalaldehyde In tetrahydrofuran at -78℃; for 22h;
Stage #3: With water In tetrahydrofuran
100%
pyrrole
109-97-7

pyrrole

pivalaldehyde
630-19-3

pivalaldehyde

2,2-dimethyl-1-pyrrol-1-yl-propan-1-ol

2,2-dimethyl-1-pyrrol-1-yl-propan-1-ol

Conditions
ConditionsYield
Stage #1: pyrrole With n-butyllithium In tetrahydrofuran; hexane at -78℃;
Stage #2: pivalaldehyde In tetrahydrofuran; hexane
100%
pivalaldehyde
630-19-3

pivalaldehyde

(5-hexyl-furan-3-yloxy)-trimethyl-silane
845960-16-9

(5-hexyl-furan-3-yloxy)-trimethyl-silane

5-hexyl-2-(1-hydroxy-2,2-dimethyl-propyl)-furan-3-one

5-hexyl-2-(1-hydroxy-2,2-dimethyl-propyl)-furan-3-one

Conditions
ConditionsYield
With boron trifluoride diethyl etherate In dichloromethane at -78℃; for 1h;100%
2-methoxy-phenylamine
90-04-0

2-methoxy-phenylamine

pivalaldehyde
630-19-3

pivalaldehyde

[2,2-Dimethyl-prop-(E)-ylidene]-(2-methoxy-phenyl)-amine

[2,2-Dimethyl-prop-(E)-ylidene]-(2-methoxy-phenyl)-amine

Conditions
ConditionsYield
With 4 A molecular sieve In toluene at 20℃; for 24h; Condensation;100%
5-phenyl-1-pentyne
1823-14-9

5-phenyl-1-pentyne

pivalaldehyde
630-19-3

pivalaldehyde

2,2-dimethyl-8-phenyl-4-octyn-3-ol

2,2-dimethyl-8-phenyl-4-octyn-3-ol

Conditions
ConditionsYield
Stage #1: 5-phenyl-1-pentyne With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 0.166667h; Inert atmosphere;
Stage #2: pivalaldehyde In tetrahydrofuran; hexane at -78 - 20℃; Inert atmosphere;
100%
Stage #1: 5-phenyl-1-pentyne With lithium diisopropyl amide In tetrahydrofuran at -30℃; for 0.666667h;
Stage #2: pivalaldehyde In tetrahydrofuran at -30 - 20℃; for 2h;
pivalaldehyde
630-19-3

pivalaldehyde

2,2-dimethyl-1-(piperazin-1-yl)propan-1-one
155295-47-9

2,2-dimethyl-1-(piperazin-1-yl)propan-1-one

tert-butyl 4-neopentylpiperazine-1-carboxylate

tert-butyl 4-neopentylpiperazine-1-carboxylate

Conditions
ConditionsYield
Stage #1: 2,2-dimethyl-1-(piperazin-1-yl)propan-1-one With acetic acid In 1,2-dichloro-ethane at 50℃; for 0.333333h;
Stage #2: pivalaldehyde With sodium tris(acetoxy)borohydride In 1,2-dichloro-ethane at 50℃; for 1.5h; Further stages.;
100%

630-19-3Relevant articles and documents

Microwave Spectrum, Molecular Structure and Dipole Moment of Pivalaldehyde

Cox, Peter A.,Couch, Andrew D.,Hillig, Kurt W.,LaBarge, Marabeth S.,Kuczkowski, Robert L.

, p. 2689 - 2698 (1991)

The microwave spectra of eight isotopic species of pivalaldehyde have been studied in the frequency region 9-40 GHz.The zero-point average skeletal structure has been derived to be: r = 1.206(6) Angstroem, r = 1.130(5) Angstroem, r = 1.516(7) Angstroem, r = r = 1.537(2) Angstroem, C(1)C(2)C(3) = 110.5(4) deg, C(1)C(2)C(4),(5) = 107.4(3) deg, proj.C(4),(5)C(2)C(1) = 120.78(4) deg, CCO = 126.0(5) deg and CCH(1) = 113.0(3) deg.The tert-butyl group is found to be tilted 2 deg away from the C=O bond.Accurate Stark effect measurements have been performed on the main species, (CH3)3CCDO and (CD3)3CCHO.The ground-state dipole moment of (CH3)3CCHO was determined as μs = 2.618(5) D and μb = 0.728(2) D giving μtotal = 2.717(5) D at an angle of 13.6 deg to the C=O bond.

Kinetics and correlation analysis of reactivity in the oxidation of aliphatic primary alcohols by isoquinolinium dichromate in non-aqueous medium

Kalal, Reena,Panday, Dinesh

, (2021/06/28)

Mild oxidation in dimethyl sulfoxide (DMSO) medium by isoquinolinium dichromate (IQDC) of aliphatic primary alcohols produces corresponding carbonyl compounds. A Michaelis-Menten kind kinetics noticed as for alcohols while unit dependency on rate observed as for IQDC. At non-identical temperatures the formation constants and the rates of decomposition of alcohol-IQDC complexes have been evaluated. Thermodynamic parameters and activation parameters for formation of the complex and break down of the complexes have been determined respectively. The oxidation process accelerates with increase in proton concentration. An α-C-H bond fisson in the rate-controlling step suggested by the deuterium isotope effect. For oxidation of ethanol, kH/kD = 5.82 at 293 K, was observed. The oxidation rates have been evaluated in 19 organic solvents and greater role of solvating power of the cation is observed. Depended on the kinetic parameters, solvent effect analysis and the outcome of thermodynamic parameters, a mechanism in which rate-controlling break down of the complex is suggested, to give the resulting product through hydride-ion transfer with a cyclic transition state.

A Multifunctional Microfluidic Platform for High-Throughput Experimentation of Electroorganic Chemistry

Jensen, Klavs F.,Mo, Yiming,Nambiar, Anirudh M. K.,Rughoobur, Girish,Zhang, Kara

supporting information, p. 20890 - 20894 (2020/09/17)

Electroorganic synthesis is a promising tool to design sustainable transformations and discover new reactivities. However, the added setup complexity caused by electrodes in the system impedes efficient screening of reaction conditions. Herein, we present a microfluidic platform that enables automated high-throughput experimentation (HTE) for electroorganic synthesis at a 15-microliter scale. Two HTE modules are demonstrated: 1) the rapid electrochemical reaction condition screening for a radical–radical cross-coupling reaction on micro-fabricated interdigitated electrodes, and 2) measurements of kinetics for mediated anodic oxidations using the microliter-scale cyclic voltammetry. The presented modular approach could be deployed for a range of other electroorganic chemistry applications beyond the demonstrated functionalities.

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