ChemicalBook > CAS DataBase List > Pivaloylacetonitrile

Pivaloylacetonitrile

Product Name: Pivaloylacetonitrile
CAS No.: 59997-51-2
Chemical Name: Pivaloylacetonitrile
Synonyms: 4,4-DIMETHYL-3-OXOPENTANENITRILE;CYANOPINACOLONE;Pivaloylnitrile;1-Cyanopinacolone;TIMTEC-BB SBB008437;Pyvaolylacetonitrile;PIVALOYLACETONITRILE;Pivaloylacetonitrile>Pivaloylacetonitrile,97%;Pivaloylacetonitrile 97%
CBNumber: CB7665596
Molecular Formula: C7H11NO
Formula Weight: 125.17
MOL File: 59997-51-2.mol

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Pivaloylacetonitrile Property

Melting point:: 66-69 °C(lit.)
Boiling point:: 125-126 °C22 mm Hg(lit.)
Density: 1.0459 (rough estimate)
refractive index: 1.4693 (estimate)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 10.25±0.10(Predicted)
form: Crystals or Crystalline Powder
color: White to cream
Water Solubility: Insoluble in water.
BRN: 1746674
InChI: InChI=1S/C7H11NO/c1-7(2,3)6(9)4-5-8/h4H2,1-3H3
InChIKey: MXZMACXOMZKYHJ-UHFFFAOYSA-N
SMILES: C(#N)CC(=O)C(C)(C)C
CAS DataBase Reference: 59997-51-2(CAS DataBase Reference)
NIST Chemistry Reference: 4,4-Dimethyl-3-oxopentanenitrile(59997-51-2)
EPA Substance Registry System: Pentanenitrile, 4,4-dimethyl-3-oxo- (59997-51-2)

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Safety

Hazard Codes: T
Risk Statements: 25
Safety Statements: 36/37/39-45
RIDADR: UN 3439 6.1/PG 3
WGK Germany: 3
RTECS: SA2991000
F: 8
TSCA: Yes
HazardClass: 6.1
PackingGroup: III
HS Code: 29269090

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Danger

Hazard statements

H301Toxic if swalloed

Precautionary statements

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P270Do not eat, drink or smoke when using this product.

P301+P310IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.

P321Specific treatment (see … on this label).

P405Store locked up.

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N-Bromosuccinimide Price

TCI Chemical

Product number: P1112
Product name: Pivaloylacetonitrile
Purity: >98.0%(GC)
Packaging: 25g
Price: $53
Updated: 2025/07/31

TCI Chemical

Product number: P1112
Product name: Pivaloylacetonitrile
Purity: >98.0%(GC)
Packaging: 500g
Price: $512
Updated: 2025/07/31

Usbiological

Product number: 286426
Product name: Pivaloylacetonitrile
Packaging: 1kg
Price: $396
Updated: 2021/12/16

TRC

Product number: D481140
Product name: 4,4-Dimethyl-3-oxopentanenitrile
Packaging: 25g
Price: $70
Updated: 2021/12/16

TRC

Product number: D481140
Product name: 4,4-Dimethyl-3-oxopentanenitrile
Packaging: 1g
Price: $45
Updated: 2021/12/16

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Pivaloylacetonitrile Chemical Properties,Usage,Production

Chemical Properties

white to cream crystals or crystalline powder

Uses

Trimethylacetylacetonitrile is a useful intermediate. 4,4-Dimethyl-3-oxopentanenitrile has been used in the preparation of 4,4-dimethyl-3-oxo-2-benzylpentanenitrile, 4,4-dimethyl-3-oxo-2-(4-hydroxybenzyl)pentanenitrile, 4,4-dimethyl-3-oxo-2-(4-methoxybenzyl)pentanenitrile, 4,4-dimethyl-3-oxo-2-(4-fluorobenzyl)pentanenitrile, 4,4-dimethyl-3-oxo-2-(3,4-methylenedioxybenzyl)pentanenitrile, 1-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-phenylurea.

Synthesis

598-98-1

75-05-8

59997-51-2

1. NaH (50% in paraffin oil, 1.2 eq., 4.6 g) was added to 1,4-dioxane (120 ml) and stirred for several minutes to disperse the mixture. 2. Acetonitrile (1.2 eq., 4.2 g) was slowly added dropwise to the above mixture over a period of 15 minutes and stirring was continued for 30 minutes after completion of the addition. 3. Methyl pivalate (1 eq., 10 g) was added slowly and dropwise to the reaction system over 15 minutes, after which the reaction mixture was heated to reflux for 3 hours. 4. After completion of the reaction, the reaction mixture was poured into ice water (200 g) and the pH was adjusted to 4.5 with acid. 5. The aqueous phase was extracted several times with dichloromethane (12 x 250 ml) and the organic phase was combined. 6. The combined organic phases were dried with anhydrous sodium sulfate, filtered and concentrated. 7. The concentrate was recrystallized with hexane (100 ml) to give the brown solid product 4,4-dimethyl-3-oxopentanenitrile (5 g, 51% yield).

References

[1] Tetrahedron, 1993, vol. 49, # 23, p. 5091 - 5098
[2] Journal of the Chemical Society, Chemical Communications, 1992, # 1, p. 50 - 51
[3] Patent: WO2010/127855, 2010, A1. Location in patent: Page/Page column 95
[4] Patent: WO2010/127856, 2010, A1. Location in patent: Page/Page column 78
[5] Patent: US2012/46301, 2012, A1. Location in patent: Page/Page column 28; 29

Pivaloylacetonitrile Preparation Products And Raw materials

Raw materials

Preparation Products

3-TERT-BUTYLISOXAZOL-5-AMINE

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View Lastest Price from Pivaloylacetonitrile manufacturers

Shaanxi Dideu Medichem Co. Ltd

Product: Pivaloylacetonitrile 59997-51-2
Price: US $0.00-0.00/KG
Min. Order: 1KG
Purity: 99%
Supply Ability: 20MT
Release date: 2025-10-24

Hebei Chuanghai Biotechnology Co., Ltd

Product: Pivaloylacetonitrile 59997-51-2
Price: US $9.90/KG
Min. Order: 1KG
Purity: 99%
Supply Ability: 10 mt
Release date: 2024-11-27

Zhuozhou Wenxi import and Export Co., Ltd

Product: Pivaloylacetonitrile 59997-51-2
Price: US $15.00-10.00/KG
Min. Order: 1KG
Purity: 99%+ HPLC
Supply Ability: Monthly supply of 1 ton
Release date: 2021-07-11

59997-51-2, PivaloylacetonitrileRelated Search:

Methylene dithiocyanate Dimethyl sulfide Dimethyl sebacate Iminodiacetonitrile 2-Chloro-3-cyanopyridine N,N-Dimethylformamide Dimethyl sulfoxide Dimethyl sulfate Dimethyl fumarate Dimethyl carbonate Dimethyl ether Cyanoacetic acid Dacthal Ethyl N-cyanoethanimideate ETHANE Sodium cyanoborohydride ETHYL 2-CYANOACRYLATE Methyl pivaloylacetate

4,4-Dimethyl-3-oxopentanenitrile 4,4-Dimethyl-3-oxovaleronitrile

Pivaloylacetonitrile, 97% 100GR

Pivaloylacetonitrile, 97% 25GR

Pivaloylacetonitrile, 97% 500GR

Pivaloylacetonitrile, 1-Cyano-3,3-dimethylbutan-2-one, 4,4-Dimethyl-3-oxovaleronitrile

Pyvaolylacetonitrile

Pivaloylacetonitrile ,98%

4,4-diMethyl-3-O E nitrile

Pivaloylacetonitrile, 1-Cyano-3,3-dimethylbutan-2-one

4,4-dimethyl-3-oxo-pentanenitril

Pentanenitrile, 4,4-dimethyl-3-oxo-

CYANOPINACOLONE

4,4-DIMETHYL-3-OXO-N-VALERONITRILE

4,4-DIMETHYL-3-OXOPENTANENITRILE

4,4-dimethyl-3-oxovaleronitrile

Pivaloyl Acetonitrile 99%min

4,4-DIMETHYL-3-OXOVALERONITRILE(PIVALOYLACETONITRILE)

4,4,-Dimethyl-3-Ox-Valeronitrile(Pivaloylacetonitrile)

Trimethylacetylacetonitrile, 98+%

1-CYANO-3,3-DIMETHYL-2-BUTANONE

PIVALOYLACETONITRILE

TRIMETHYLACETYLACETONITRILE

TIMTEC-BB SBB008437

1-Cyanopinacolone

Trimethylacetylacetonitrile,99%

4,4-DIMETHYL-3-OXOPENTANENITRILE(PIVALOYLACETONITRILE)

PIVALOYLACETONITRILE (4,4-DIMETHYL-3-OXOPENTANENITRILE) (1-CYANOPINACOLONE)

Valeronitrile, 4,4-dimethyl-3-oxo

3-Oxo-4,4-dimethylpentanenitrile

Pivaloylacetonitrile,97%

Pivaloylacetonitrile 97%

4,4-Dimethyl-3-oxovaleronitril

Pivaloylacetonitrile&gt

Pivaloylacetonitrile ISO 9001：2015 REACH

4,4-Dimethyl-3-Oxopentanetrile

2-Diethylamino-5-Amino-6-Me pyridine

Cyanopinacone/Neovalerylacetonitrile

Pivaloylnitrile

59997-51-2

9997-51-2

CH33CCOCH2CN

Nitrogen Compounds

Organic Building Blocks

Cyanides/Nitriles

C6 to C7

Building Blocks

Agrochemicals

Aliphatics

ketone

BUILDING BLOCKS