Product Name

  • Name

    Pivaloylacetonitrile

  • EINECS 262-017-1
  • CAS No. 59997-51-2
  • Article Data47
  • CAS DataBase
  • Density 0.929 g/cm3
  • Solubility Insoluble in water.
  • Melting Point 66-69 °C(lit.)
  • Formula C7H11NO
  • Boiling Point 236 °C at 760 mmHg
  • Molecular Weight 125.17
  • Flash Point 59.5 °C
  • Transport Information UN 3439 6.1/PG 3
  • Appearance white to cream crystals or crystalline powder
  • Safety 36/37/39-45
  • Risk Codes 25
  • Molecular Structure Molecular Structure of 59997-51-2 (Pivaloylacetonitrile)
  • Hazard Symbols ToxicT
  • Synonyms Cyanopinacolone;Valeronitrile,4,4-dimethyl-3-oxo- (6CI);4,4-Dimethyl-3-oxopentanenitrile;
  • PSA 40.86000
  • LogP 1.51528

Synthetic route

sodium cyanide
773837-37-9

sodium cyanide

1-chloro-3,3-dimethyl-butan-2-one
13547-70-1

1-chloro-3,3-dimethyl-butan-2-one

trimethylacetylacetonitrile
59997-51-2

trimethylacetylacetonitrile

Conditions
ConditionsYield
With sodium carbonate; sodium iodide In methanol at 60℃; for 3h;95%
1-chloro-3,3-dimethyl-butan-2-one
13547-70-1

1-chloro-3,3-dimethyl-butan-2-one

trimethylacetylacetonitrile
59997-51-2

trimethylacetylacetonitrile

Conditions
ConditionsYield
In methanol; sodium hydroxide90%
3,3-dimethyl-butan-2-one
75-97-8

3,3-dimethyl-butan-2-one

trimethylacetylacetonitrile
59997-51-2

trimethylacetylacetonitrile

Conditions
ConditionsYield
With hydrogenchloride; sodium hydroxide; sodium bicarbonate; chlorine In methanol; water; benzene85%
Multi-step reaction with 2 steps
1: chloroform; SnCl4; bromine / -15 °C
2: alcohol / K-Salz
View Scheme
4,4-dimethyl-3-ketovaleronitrile sodium salt

4,4-dimethyl-3-ketovaleronitrile sodium salt

trimethylacetylacetonitrile
59997-51-2

trimethylacetylacetonitrile

Conditions
ConditionsYield
With hydrogenchloride In water; dimethyl sulfoxide; toluene at 30℃; pH=2.0; Product distribution / selectivity;78%
With hydrogenchloride In water; toluene at 20 - 30℃; pH=2.0; Product distribution / selectivity;58%
With hydrogenchloride In water at 0℃; pH=7.0 - 7.7; Product distribution / selectivity;57%
N-methoxy-N-methylpivalamide
64214-60-4

N-methoxy-N-methylpivalamide

acetonitrile
75-05-8

acetonitrile

trimethylacetylacetonitrile
59997-51-2

trimethylacetylacetonitrile

Conditions
ConditionsYield
Stage #1: acetonitrile With methyllithium; lithium bromide In tetrahydrofuran; diethyl ether at -78℃; for 0.5h; Inert atmosphere;
Stage #2: N-methoxy-N-methylpivalamide In tetrahydrofuran; diethyl ether at -78℃; for 1.5h; Inert atmosphere;
74%
Methyl pivalate
598-98-1

Methyl pivalate

acetonitrile
75-05-8

acetonitrile

trimethylacetylacetonitrile
59997-51-2

trimethylacetylacetonitrile

Conditions
ConditionsYield
With bromobenzene Ambient temperature; electrolysis;60%
With bromobenzene; tetrabutylammonium tetrafluoroborate electroreduction;60%
Stage #1: acetonitrile With sodium hydride In 1,4-dioxane; paraffin oil (nujol) for 0.75h;
Stage #2: Methyl pivalate In 1,4-dioxane; paraffin oil (nujol) for 3h; Reflux;
51%
pivaloyl chloride
3282-30-2

pivaloyl chloride

acetonitrile
75-05-8

acetonitrile

trimethylacetylacetonitrile
59997-51-2

trimethylacetylacetonitrile

Conditions
ConditionsYield
Stage #1: acetonitrile With n-butyllithium In tetrahydrofuran at -78℃; for 1h; Inert atmosphere;
Stage #2: pivaloyl chloride In tetrahydrofuran at -78℃; for 1h; Inert atmosphere;
41%
ethanol
64-17-5

ethanol

2-chloromethyl-2-hydroxy-3,3-dimethyl-butyronitrile

2-chloromethyl-2-hydroxy-3,3-dimethyl-butyronitrile

sodium ethanolate
141-52-6

sodium ethanolate

A

2,3-epoxy-2-tert-butyl-propionitrile

2,3-epoxy-2-tert-butyl-propionitrile

B

trimethylacetylacetonitrile
59997-51-2

trimethylacetylacetonitrile

1-chloro-3,3-dimethyl-butan-2-one
13547-70-1

1-chloro-3,3-dimethyl-butan-2-one

sodium cyanide
143-33-9

sodium cyanide

trimethylacetylacetonitrile
59997-51-2

trimethylacetylacetonitrile

Conditions
ConditionsYield
With ethanol
1-chloro-3,3-dimethyl-butan-2-one
13547-70-1

1-chloro-3,3-dimethyl-butan-2-one

potassium cyanide
151-50-8

potassium cyanide

A

2,3-epoxy-2-tert-butyl-propionitrile

2,3-epoxy-2-tert-butyl-propionitrile

B

trimethylacetylacetonitrile
59997-51-2

trimethylacetylacetonitrile

Conditions
ConditionsYield
With water
1-chloro-3,3-dimethyl-butan-2-one
13547-70-1

1-chloro-3,3-dimethyl-butan-2-one

potassium cyanide
151-50-8

potassium cyanide

trimethylacetylacetonitrile
59997-51-2

trimethylacetylacetonitrile

Conditions
ConditionsYield
With ethanol
potassium cyanide
151-50-8

potassium cyanide

1-Bromopinacolon
5469-26-1

1-Bromopinacolon

trimethylacetylacetonitrile
59997-51-2

trimethylacetylacetonitrile

Conditions
ConditionsYield
With ethanol K-Salz;
3,5-di(tert-butyl )isoxazole
1132-15-6

3,5-di(tert-butyl )isoxazole

trimethylacetylacetonitrile
59997-51-2

trimethylacetylacetonitrile

Conditions
ConditionsYield
In methanol Irradiation;
pivaloyl chloride
3282-30-2

pivaloyl chloride

cyanoacetic acid
372-09-8

cyanoacetic acid

trimethylacetylacetonitrile
59997-51-2

trimethylacetylacetonitrile

Conditions
ConditionsYield
With [2,2]bipyridinyl; n-butyllithium 1.) THF, hexane, -70 deg C --> 0 deg C, 2.) -70 deg C, 1 h; Yield given. Multistep reaction;
With hydrogenchloride; n-butyllithium In tetrahydrofuran; hexane
2,2-dimethyl-propanoic acid ethyl ester
3938-95-2

2,2-dimethyl-propanoic acid ethyl ester

acetonitrile
75-05-8

acetonitrile

trimethylacetylacetonitrile
59997-51-2

trimethylacetylacetonitrile

Conditions
ConditionsYield
With sodium hydride In tetrahydrofuran
With sodium hydride In 1,4-dioxane
With sodium hydride In tetrahydrofuran at 75℃; for 15h;
With sodium hydride In tetrahydrofuran at 80℃;
With sodium hydride In 1,4-dioxane; mineral oil at 20℃; for 16h;
1-chloro-3,3-dimethyl-butan-2-one
13547-70-1

1-chloro-3,3-dimethyl-butan-2-one

potassium cyanide
151-50-8

potassium cyanide

A

trimethylacetylacetonitrile
59997-51-2

trimethylacetylacetonitrile

B

α-tert-butyl-α-cyano-ethylene oxide

α-tert-butyl-α-cyano-ethylene oxide

Conditions
ConditionsYield
With water
Methyl pivalate
598-98-1

Methyl pivalate

trimethylacetylacetonitrile
59997-51-2

trimethylacetylacetonitrile

Conditions
ConditionsYield
With hydrogenchloride In water; toluene; acetonitrile
With hydrogenchloride; hydrogen In water; toluene; acetonitrile
In tetrahydrofuran; water; acetonitrile
With ammonia; iron(III) chloride In diethyl ether; acetonitrile
acetonitrile
75-05-8

acetonitrile

pivalic acid ester

pivalic acid ester

trimethylacetylacetonitrile
59997-51-2

trimethylacetylacetonitrile

Conditions
ConditionsYield
With sodium hydride In toluene
pivaloyl chloride
3282-30-2

pivaloyl chloride

trimethylacetylacetonitrile
59997-51-2

trimethylacetylacetonitrile

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: 1.5 h / 0 - 20 °C
2.1: sodium hydride / 1,4-dioxane; paraffin oil / 0.75 h
2.2: 3 h / Reflux
View Scheme
Multi-step reaction with 2 steps
1.1: 1.5 h / 0 - 20 °C
2.1: sodium hydride / 1,4-dioxane; paraffin oil (nujol) / 0.75 h
2.2: Reflux
View Scheme
Multi-step reaction with 2 steps
1.1: 1.5 h / 0 - 20 °C
2.1: sodium hydride / 1,4-dioxane; paraffin oil (nujol) / 0.75 h
2.2: 3 h / Reflux
View Scheme
sodium cyanide
773837-37-9

sodium cyanide

1-Bromopinacolon
5469-26-1

1-Bromopinacolon

trimethylacetylacetonitrile
59997-51-2

trimethylacetylacetonitrile

Conditions
ConditionsYield
With hydrogenchloride In ethanol; water at 20℃;
Stage #1: sodium cyanide; 1-Bromopinacolon In ethanol; water for 16h;
Stage #2: With hydrogenchloride In ethanol; water
trimethylacetylacetonitrile
59997-51-2

trimethylacetylacetonitrile

(2,4-difluorophenyl)hydrazinium chloride
40594-29-4, 51523-79-6

(2,4-difluorophenyl)hydrazinium chloride

3-tert-butyl-1-(2,4-difluorophenyl)-1H-pyrazol-5-amine
778611-49-7

3-tert-butyl-1-(2,4-difluorophenyl)-1H-pyrazol-5-amine

Conditions
ConditionsYield
Stage #1: trimethylacetylacetonitrile; (2,4-difluorophenyl)hydrazinium chloride With hydrogenchloride In ethanol for 12h; Heating / reflux;
Stage #2: With sodium hydroxide In ethanol; water at 20℃; pH=12;
100%
trimethylacetylacetonitrile
59997-51-2

trimethylacetylacetonitrile

4-methoxyphenylhydrazine hydrochloride
19501-58-7

4-methoxyphenylhydrazine hydrochloride

3-tert-butyl-1-(4-methoxyphenyl)-1H-pyrazol-5-amine
227623-26-9

3-tert-butyl-1-(4-methoxyphenyl)-1H-pyrazol-5-amine

Conditions
ConditionsYield
for 18h; Reflux;100%
With hydrogenchloride In ethanol for 48h; Reflux;87%
In ethanol at 80℃;80%
trimethylacetylacetonitrile
59997-51-2

trimethylacetylacetonitrile

1-(3-chloro-4-methylphenyl)hydrazine hydrochloride
54812-56-5

1-(3-chloro-4-methylphenyl)hydrazine hydrochloride

3-tert-butyl-1-(3-chloro-4-methylphenyl)-1H-pyrazol-5-amine
926242-93-5

3-tert-butyl-1-(3-chloro-4-methylphenyl)-1H-pyrazol-5-amine

Conditions
ConditionsYield
With hydrogenchloride In ethanol for 18h; Reflux;100%
With hydrogenchloride In ethanol; water at 90℃; for 24h;45%
trimethylacetylacetonitrile
59997-51-2

trimethylacetylacetonitrile

n-propylhydrazine oxalate
6340-91-6

n-propylhydrazine oxalate

3-tert-butyl-1-n-propyl-1H-pyrazol-5-amine
884340-11-8

3-tert-butyl-1-n-propyl-1H-pyrazol-5-amine

Conditions
ConditionsYield
With hydrogenchloride In ethanol for 12h; Reflux;100%
Stage #1: trimethylacetylacetonitrile; n-propylhydrazine oxalate In ethanol at 85℃;
Stage #2: With sodium hydroxide In dichloromethane; water
98%
In ethanol at 85℃; for 4h;96%
In ethanol for 18h; Reflux; Inert atmosphere;
trimethylacetylacetonitrile
59997-51-2

trimethylacetylacetonitrile

(R)-((tetrahydrofuran-2-yl)methyl)hydrazine dihydrochloride

(R)-((tetrahydrofuran-2-yl)methyl)hydrazine dihydrochloride

(R)-3-tert-butyl-1-((tetrahydrofuran-2-yl)methyl)-1H-pyrazol-5-amine
1140917-39-0

(R)-3-tert-butyl-1-((tetrahydrofuran-2-yl)methyl)-1H-pyrazol-5-amine

Conditions
ConditionsYield
Stage #1: trimethylacetylacetonitrile; (R)-((tetrahydrofuran-2-yl)methyl)hydrazine dihydrochloride In ethanol at 85℃;
Stage #2: With sodium hydrogencarbonate In dichloromethane at 20℃;
100%
trimethylacetylacetonitrile
59997-51-2

trimethylacetylacetonitrile

3,3,3-trifluoropropyl-4-methylbenzene sulphonate
2342-67-8

3,3,3-trifluoropropyl-4-methylbenzene sulphonate

3-tert-butyl-1-(3,3,3-trifluoropropyl)-1H-pyrazol-5-amine
1217419-66-3

3-tert-butyl-1-(3,3,3-trifluoropropyl)-1H-pyrazol-5-amine

Conditions
ConditionsYield
Stage #1: 3,3,3-trifluoropropyl-4-methylbenzene sulphonate With hydrazine hydrate In ethanol at 85℃;
Stage #2: trimethylacetylacetonitrile In ethanol at 20 - 85℃; Reflux;
100%
2,4-difluorophenylhydrazine
40594-30-7

2,4-difluorophenylhydrazine

trimethylacetylacetonitrile
59997-51-2

trimethylacetylacetonitrile

3-tert-butyl-1-(2,4-difluorophenyl)-1H-pyrazol-5-amine
778611-49-7

3-tert-butyl-1-(2,4-difluorophenyl)-1H-pyrazol-5-amine

Conditions
ConditionsYield
With hydrogenchloride In ethanol Reflux;100%
trimethylacetylacetonitrile
59997-51-2

trimethylacetylacetonitrile

benzylhydrazine dihydrochloride
20570-96-1

benzylhydrazine dihydrochloride

1-benzyl-3-tert-butyl-1H-pyrazol-5-amine
866255-96-1

1-benzyl-3-tert-butyl-1H-pyrazol-5-amine

Conditions
ConditionsYield
With hydrogenchloride In ethanol Reflux;100%
trimethylacetylacetonitrile
59997-51-2

trimethylacetylacetonitrile

3,4-dimethylphenylhydrazine hydrochloride
60481-51-8, 86746-50-1

3,4-dimethylphenylhydrazine hydrochloride

5-tert-butyl-2-(3,4-dimethyl-phenyl)-2H-pyrazol-3-ylamine
1025893-78-0

5-tert-butyl-2-(3,4-dimethyl-phenyl)-2H-pyrazol-3-ylamine

Conditions
ConditionsYield
With hydrogenchloride In ethanol for 18h; Reflux;100%
In methanol for 0.266667h; Reflux;91.5%
In ethanol for 5h; Reflux;90%
trimethylacetylacetonitrile
59997-51-2

trimethylacetylacetonitrile

4-hydrazinobenzoic acid hydrochloride
24589-77-3, 52455-33-1

4-hydrazinobenzoic acid hydrochloride

4-(5-amino-3-tert-butyl-1H-pyrazol-1-yl)benzoic acid
869663-56-9

4-(5-amino-3-tert-butyl-1H-pyrazol-1-yl)benzoic acid

Conditions
ConditionsYield
With hydrogenchloride In ethanol for 18h; Reflux;100%
Stage #1: trimethylacetylacetonitrile; 4-hydrazinobenzoic acid hydrochloride In ethanol for 69h; Reflux;
Stage #2: With water; lithium hydroxide In tetrahydrofuran at 20℃; for 2h;
trimethylacetylacetonitrile
59997-51-2

trimethylacetylacetonitrile

N,N-dimethyl-formamide dimethyl acetal
4637-24-5

N,N-dimethyl-formamide dimethyl acetal

(E/Z)-2-((dimethylamino)methylene)-4,4-dimethyl-3-oxopentanenitrile

(E/Z)-2-((dimethylamino)methylene)-4,4-dimethyl-3-oxopentanenitrile

Conditions
ConditionsYield
In toluene100%
trimethylacetylacetonitrile
59997-51-2

trimethylacetylacetonitrile

(3-chloro-4-fluorophenyl)hydrazine hydrochloride

(3-chloro-4-fluorophenyl)hydrazine hydrochloride

5-tert-butyl-2-(3-chloro-4-fluorophenyl)pyrazol-3-amine
1001522-07-1

5-tert-butyl-2-(3-chloro-4-fluorophenyl)pyrazol-3-amine

Conditions
ConditionsYield
With hydrogenchloride In ethanol for 18h; Reflux;100%
In ethanol; water Reflux;
trimethylacetylacetonitrile
59997-51-2

trimethylacetylacetonitrile

p-tolylhydrazine hydrochloride
637-60-5

p-tolylhydrazine hydrochloride

3-tert-butyl-1-p-tolyl-1H-pyrazol-5-amine
285984-25-0

3-tert-butyl-1-p-tolyl-1H-pyrazol-5-amine

Conditions
ConditionsYield
In methanol99%
With hydrogenchloride In ethanol for 48h; Reflux;86%
With hydrogenchloride In ethanol at 80℃; for 8h;86.4%
trimethylacetylacetonitrile
59997-51-2

trimethylacetylacetonitrile

4-Hydrazinobenzoic acid
619-67-0

4-Hydrazinobenzoic acid

4-(5-amino-3-tert-butyl-1H-pyrazol-1-yl)benzoic acid
869663-56-9

4-(5-amino-3-tert-butyl-1H-pyrazol-1-yl)benzoic acid

Conditions
ConditionsYield
With acetic acid In tetrahydrofuran; ethanol for 16h; Heating / reflux;99%
With acetic acid In tetrahydrofuran; ethanol for 16h; Heating / reflux;99%
Stage #1: trimethylacetylacetonitrile; 4-Hydrazinobenzoic acid In methanol at 20℃; for 0.333333h;
Stage #2: With hydrogenchloride at 94.85℃; for 0.666667h;
80%
In toluene at 20℃; for 12h; Heating / reflux;
In toluene at 20℃; for 12h; Heating / reflux;
trimethylacetylacetonitrile
59997-51-2

trimethylacetylacetonitrile

4-hydrazinobenzonitrile hydrochloride
2863-98-1

4-hydrazinobenzonitrile hydrochloride

4-(5-amino-3-(tert-butyl)-1H-pyrazol-1-yl)benzonitrile
869663-55-8

4-(5-amino-3-(tert-butyl)-1H-pyrazol-1-yl)benzonitrile

Conditions
ConditionsYield
With hydrogenchloride In ethanol for 18h; Reflux;99%
In ethanol for 68h; Reflux;95%
In ethanol at 20℃; for 92h; Reflux;95%
trimethylacetylacetonitrile
59997-51-2

trimethylacetylacetonitrile

benzaldehyde
100-52-7

benzaldehyde

4,4-dimethyl-3-oxo-2-[1-phenylmeth-(E)-ylidene]pentanenitrile
1189116-34-4

4,4-dimethyl-3-oxo-2-[1-phenylmeth-(E)-ylidene]pentanenitrile

Conditions
ConditionsYield
With L-proline In ethanol at 20℃; for 24h; Knoevenagel condensation;99%
With dimethyl 3-methyl-9-oxo-7-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-2,4-di(pyridin-2-yl)-3,7-diazabicyclo-[3.3.1]nonane-1,5-dicarboxylate In water at 40℃; for 4h; Knoevenagel Condensation;80%
trimethylacetylacetonitrile
59997-51-2

trimethylacetylacetonitrile

(4-fluorobenzyl)hydrazine dihydrochloride

(4-fluorobenzyl)hydrazine dihydrochloride

3-tert-butyl-1-(4-fluorobenzyl)-1H-pyrazol-5-amine
1217414-99-7

3-tert-butyl-1-(4-fluorobenzyl)-1H-pyrazol-5-amine

Conditions
ConditionsYield
Stage #1: trimethylacetylacetonitrile; (4-fluorobenzyl)hydrazine dihydrochloride In ethanol at 85℃; for 2h;
Stage #2: With sodium hydrogencarbonate In ethanol; water; ethyl acetate
99%
trimethylacetylacetonitrile
59997-51-2

trimethylacetylacetonitrile

benzaldehyde
100-52-7

benzaldehyde

malononitrile
109-77-3

malononitrile

2-amino-6-(tert-butyl)-4-phenyl-4H-pyran-3,5-dicarbonitrile

2-amino-6-(tert-butyl)-4-phenyl-4H-pyran-3,5-dicarbonitrile

Conditions
ConditionsYield
With tris(2,2'-bipyridyl)ruthenium dichloride In ethanol; water at 25℃; for 2h; Schlenk technique; Irradiation; Green chemistry;98.6%
In ethanol; water at 20℃; Irradiation; Green chemistry;88%
trimethylacetylacetonitrile
59997-51-2

trimethylacetylacetonitrile

p-tolylhydrazine hydrochloride
637-60-5

p-tolylhydrazine hydrochloride

3-amino-5-tert-butyl-2-(p-tolyl)-2H-pyrazole hydrochloride

3-amino-5-tert-butyl-2-(p-tolyl)-2H-pyrazole hydrochloride

Conditions
ConditionsYield
In methanol at 120℃; for 1h; microwave irradiation;98%
In methanol Inert atmosphere; Reflux;94%
In methanol for 16h; Reflux;86%
trimethylacetylacetonitrile
59997-51-2

trimethylacetylacetonitrile

5-isothiocyanato-benzo[1,3]dioxole
113504-93-1

5-isothiocyanato-benzo[1,3]dioxole

methyl iodide
74-88-4

methyl iodide

3-(benzo[1,3]dioxol-5ylamino)-2-(2,2-dimethylpropionyl)-3-methylsulfanyl-2-propenenitrile

3-(benzo[1,3]dioxol-5ylamino)-2-(2,2-dimethylpropionyl)-3-methylsulfanyl-2-propenenitrile

Conditions
ConditionsYield
Stage #1: trimethylacetylacetonitrile; 5-isothiocyanato-benzo[1,3]dioxole With potassium carbonate In acetone at 20℃; for 72h;
Stage #2: methyl iodide In acetone at 20℃; for 0.75h;
98%
trimethylacetylacetonitrile
59997-51-2

trimethylacetylacetonitrile

2C6H5O2(1-)*C16H22N2O2S4(2+)

2C6H5O2(1-)*C16H22N2O2S4(2+)

C22H20N2O4S4
1118625-18-5

C22H20N2O4S4

Conditions
ConditionsYield
In 1-methyl-pyrrolidin-2-one at 80℃; for 4h; Inert atmosphere;98%
trimethylacetylacetonitrile
59997-51-2

trimethylacetylacetonitrile

2C6H5O2(1-)*C16H22N2O2S4(2+)

2C6H5O2(1-)*C16H22N2O2S4(2+)

C22H20N2O4S4
1118625-18-5

C22H20N2O4S4

Conditions
ConditionsYield
In 1-methyl-pyrrolidin-2-one at 80℃; for 4h; Inert atmosphere;98%
trimethylacetylacetonitrile
59997-51-2

trimethylacetylacetonitrile

(2-methoxyethyl)hydrazine oxalic acid

(2-methoxyethyl)hydrazine oxalic acid

5-tert-butyl-2-(2-methoxyethyl)-2H-pyrazol-3-ylamine

5-tert-butyl-2-(2-methoxyethyl)-2H-pyrazol-3-ylamine

Conditions
ConditionsYield
In ethanol at 85℃; for 4.5h;98%
In ethanol at 85℃; for 4.5h;98%
trimethylacetylacetonitrile
59997-51-2

trimethylacetylacetonitrile

5-amino-3-tert-butylisoxazole
59669-59-9

5-amino-3-tert-butylisoxazole

Conditions
ConditionsYield
With sodium hydroxide; hydroxyammonium sulfate at 100℃; for 2.5h;97.6%
With hydroxylamine hydrochloride; sodium hydroxide In water at 100℃; for 2.5h;97%
With hydroxylamine hydrochloride; sodium hydroxide In water at 60℃; for 3h;88%
trimethylacetylacetonitrile
59997-51-2

trimethylacetylacetonitrile

methyl 4,4-dimethyl-3-oxopentanimidate hydrochloride

methyl 4,4-dimethyl-3-oxopentanimidate hydrochloride

Conditions
ConditionsYield
With hydrogenchloride In methanol; hexane; toluene97.5%
97.5%
trimethylacetylacetonitrile
59997-51-2

trimethylacetylacetonitrile

3-tert-butyl-1H-pyrazole-5-amine
82560-12-1

3-tert-butyl-1H-pyrazole-5-amine

Conditions
ConditionsYield
With hydrazine hydrate In methanol at 120℃; for 0.666667h; microwave irradiation;97%
With hydrazine hydrate In ethanol at 110℃; for 7h; Inert atmosphere;97%
With hydrazine hydrate In ethanol for 3h; Reflux;89%
2-hydroxyethylhydrazine
109-84-2

2-hydroxyethylhydrazine

trimethylacetylacetonitrile
59997-51-2

trimethylacetylacetonitrile

2-(5-amino-3-(tert-butyl)-1H-pyrazol-1-yl)ethanol
908267-36-7

2-(5-amino-3-(tert-butyl)-1H-pyrazol-1-yl)ethanol

Conditions
ConditionsYield
With hydrogenchloride In ethanol for 20h; Reflux;97%
With hydrogenchloride In ethanol for 20h; Reflux;97%
With hydrogenchloride In ethanol; water for 20h; Reflux;97%
trimethylacetylacetonitrile
59997-51-2

trimethylacetylacetonitrile

(R)-((tetrahydrofuran-2-yl)methyl)hydrazine dihydrochloride

(R)-((tetrahydrofuran-2-yl)methyl)hydrazine dihydrochloride

(R)-3-tert-butyl-1-((tetrahydrofuran-2-yl)methyl)-1H-pyrazol-5-amine hydrochloride
1140917-98-1

(R)-3-tert-butyl-1-((tetrahydrofuran-2-yl)methyl)-1H-pyrazol-5-amine hydrochloride

Conditions
ConditionsYield
In ethanol at 90℃; for 6h;97%
In ethanol at 90℃; for 6h;97%
trimethylacetylacetonitrile
59997-51-2

trimethylacetylacetonitrile

(2-chloro-5-hydrazino-phenyl)-methanol

(2-chloro-5-hydrazino-phenyl)-methanol

[5-(5-amino-3-tert-butyl-pyrazol-1-yl)-2-chloro-phenyl]-methanol hydrochloride

[5-(5-amino-3-tert-butyl-pyrazol-1-yl)-2-chloro-phenyl]-methanol hydrochloride

Conditions
ConditionsYield
With hydrogenchloride In ethanol for 3.5h; Reflux;97%
With hydrogenchloride In ethanol for 3.5h; Reflux;97%
trimethylacetylacetonitrile
59997-51-2

trimethylacetylacetonitrile

2-hydrazinoethanol

2-hydrazinoethanol

2-(5-amino-3-(tert-butyl)-1H-pyrazol-1-yl)ethanol
908267-36-7

2-(5-amino-3-(tert-butyl)-1H-pyrazol-1-yl)ethanol

Conditions
ConditionsYield
With hydrogenchloride In ethanol; water for 20h; Reflux;97%

Pivaloylacetonitrile Specification

The CAS register number of Pentanenitrile,4,4-dimethyl-3-oxo- is 59997-51-2. It also can be called as 4,4-Dimethyl-3-oxovaleronitrile and the IUPAC name about this chemical is 4,4-dimethyl-3-oxopentanenitrile. The molecular formula about this chemical is C7H11NO and the molecular weight is 125.17. It belongs to the following product categories, such as Building Blocks; Aliphatics; Ketone and so on. If you wan to store this chemical, please keep it in a closed container and store it in a cool, dry place.

Physical properties about Pentanenitrile,4,4-dimethyl-3-oxo- are: (1)ACD/LogP: 0.55; (2)ACD/LogD (pH 5.5): 0.55; (3)ACD/LogD (pH 7.4): 0.55; (4)ACD/BCF (pH 5.5): 1.53; (5)ACD/BCF (pH 7.4): 1.53; (6)ACD/KOC (pH 5.5): 47.26; (7)ACD/KOC (pH 7.4): 47.2; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 40.86Å2; (11)Index of Refraction: 1.424; (12)Molar Refractivity: 34.38 cm3; (13)Molar Volume: 134.6 cm3; (14)Polarizability: 13.63x10-24cm3; (15)Surface Tension: 31.5 dyne/cm; (16)Enthalpy of Vaporization: 47.27 kJ/mol; (17)Boiling Point: 236 °C at 760 mmHg; (18)Vapour Pressure: 0.0486 mmHg at 25°C.

Preparation: this chemical can be prepared by acetonitrile and 2,2-dimethyl-propionic acid methyl ester. This reaction will need reagent bromobenzene at ambient temperature//electrolysis. The yield is about 60%.

Uses of Pentanenitrile,4,4-dimethyl-3-oxo-: it can be used to produce 3-tert-butyl-isoxazol-5-ylamine. This reaction will need reagent sodium acetate, acetic acid and NH2OH+HCl.

When you are using this chemical, please be cautious about it as the following:
This chemical is toxic if swallowed. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: N#CCC(=O)C(C)(C)C
(2)InChI: InChI=1/C7H11NO/c1-7(2,3)6(9)4-5-8/h4H2,1-3H3
(3)InChIKey: MXZMACXOMZKYHJ-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C7H11NO/c1-7(2,3)6(9)4-5-8/h4H2,1-3H3
(5)Std. InChIKey: MXZMACXOMZKYHJ-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 skin > 1gm/kg (1000mg/kg)   National Technical Information Service. Vol. OTS0555393,
rat LD50 oral 283mg/kg (283mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
National Technical Information Service. Vol. OTS0555393,

Post buying leads

About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia

Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog

©2008 LookChem.com,License: ICP

NO.:Zhejiang16009103

complaints:service@lookchem.com Desktop View