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2,2-dimethylpent-4-enenitrile, commonly known as Pivalonitrile, is a chemical compound with the molecular formula C7H13N. It is a colorless liquid with a faint odor and is recognized for its high reactivity. Pivalonitrile is widely used as a reagent in organic synthesis and serves as a building block in the production of pharmaceuticals, agrochemicals, and other fine chemicals. It also finds applications as a stabilizer and corrosion inhibitor in various industrial processes. However, it is important to note that Pivalonitrile is considered a potential irritant and may pose health risks if not handled and used properly.

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  • 2978-30-5 Structure
  • Basic information

    1. Product Name: 2,2-dimethylpent-4-enenitrile
    2. Synonyms:
    3. CAS NO:2978-30-5
    4. Molecular Formula: C7H11N
    5. Molecular Weight: 109.1689
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 2978-30-5.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 168.7°C at 760 mmHg
    3. Flash Point: 62.7°C
    4. Appearance: N/A
    5. Density: 0.823g/cm3
    6. Vapor Pressure: 1.59mmHg at 25°C
    7. Refractive Index: 1.427
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 2,2-dimethylpent-4-enenitrile(CAS DataBase Reference)
    11. NIST Chemistry Reference: 2,2-dimethylpent-4-enenitrile(2978-30-5)
    12. EPA Substance Registry System: 2,2-dimethylpent-4-enenitrile(2978-30-5)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 2978-30-5(Hazardous Substances Data)

2978-30-5 Usage

Uses

Used in Pharmaceutical Industry:
2,2-dimethylpent-4-enenitrile is used as a building block for the synthesis of various pharmaceuticals. Its high reactivity allows for the creation of complex molecules that can be utilized in the development of new drugs and medications.
Used in Agrochemical Industry:
In the agrochemical sector, 2,2-dimethylpent-4-enenitrile is employed as a starting material for the production of agrochemicals. Its versatility in organic synthesis enables the creation of compounds that can be used in the development of pesticides, herbicides, and other agricultural chemicals.
Used in Fine Chemicals Industry:
2,2-dimethylpent-4-enenitrile is used as a reagent in the synthesis of fine chemicals. Its role in the production of specialty chemicals is crucial for various applications, including the creation of fragrances, dyes, and other high-value products.
Used in Industrial Applications:
Pivalonitrile is used as a stabilizer and corrosion inhibitor in various industrial processes. Its ability to prevent the degradation of materials and protect against corrosion makes it a valuable component in the manufacturing of certain products and the maintenance of industrial equipment.
Used in Research and Development:
2,2-dimethylpent-4-enenitrile is utilized in research and development settings as a reagent for the synthesis of novel compounds. Its high reactivity and potential for creating complex molecules make it an essential tool for scientists and researchers working on the cutting edge of chemical innovation.

Check Digit Verification of cas no

The CAS Registry Mumber 2978-30-5 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 2,9,7 and 8 respectively; the second part has 2 digits, 3 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 2978-30:
(6*2)+(5*9)+(4*7)+(3*8)+(2*3)+(1*0)=115
115 % 10 = 5
So 2978-30-5 is a valid CAS Registry Number.

2978-30-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 2,2-dimethylpent-4-enenitrile

1.2 Other means of identification

Product number -
Other names 2,2-dimethylpent-4-ene-1-nitrile

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:2978-30-5 SDS

2978-30-5Relevant articles and documents

Asymmetric "clip-Cycle" Synthesis of Pyrrolidines and Spiropyrrolidines

Maddocks, Christopher J.,Ermanis, Kristaps,Clarke, Paul A.

supporting information, p. 8116 - 8121 (2020/11/02)

The development of an asymmetric "clip-cycle"synthesis of 2,2- and 3,3-disubstituted pyrrolidines and spiropyrrolidines, which are increasingly important scaffolds in drug discovery programs, is reported. Cbz-protected bis-homoallylic amines were activate

Copper-Catalyzed Carbonylative Synthesis of β-Homoprolines from N-Fluoro-sulfonamides

Wu, Xiao-Feng,Yin, Zhiping,Zhang, Youcan

supporting information, p. 1889 - 1893 (2020/03/24)

A new methodology for the carbonylative transformation of N-fluoro-sulfonamides into N-sulfonyl-β-homoproline esters has been described. In the presence of a catalytic amount of Cu(OTf)2, a range of β-homoproline derivatives were prepared in moderate to good yield. The reaction proceeds via the intramolecular cyclization and intermolecular carbonylation of a free carbon radical. Notably, this procedure offers the possibility to build potential functionalized bioactive molecules.

Palladium(II)-Catalyzed Aminotrifluoromethoxylation of Alkenes: Mechanistic Insight into the Effect of N-Protecting Groups

Chen, Chaohuang,Chen, Pinhong,Hou, Chuanqi,Liu, Guosheng

supporting information, p. 346 - 350 (2020/05/25)

An efficient palladium-catalyzed regioselective 5-exo aminotrifluoromethoxylation of alkenes has been established herein, which provides a practical route towards the synthesis of OCF3-containing pyrrolidines. tert-Butyloxycarbonyl (Boc) as an amino protecting group plays a significant role in both the chemo- and regioselectivities. In addition, preliminary mechanistic studies reveal that the amino protecting group of substrates and the counter anion of palladium catalyst play critical roles in reaction efficiency presumably due to an isomerization of alkyl- Pd(II) intermediates. Moreover, the asymmetric 5-exo aminotrifluoromethoxylation reaction has also been achieved by introducing a sterically bulky pyridinyl-oxazoline ligand.

TRICYCLIC COMPOUNDS AS HISTONE METHYL-TRANSFERASE INHIBITORS

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Page/Page column 199, (2019/03/05)

The present disclosure provides certain tricyclic compounds that are histone methyltransferases G9a and/or GLP inhibitors and are therefore useful for the treatment of diseases treatable by inhibition of G9a and/or GLP such as cancers and hemoglobinopathi

Enantioselective Pd(II)-Catalyzed Intramolecular Oxidative 6- endo Aminoacetoxylation of Unactivated Alkenes

Qi, Xiaoxu,Chen, Chaohuang,Hou, Chuanqi,Fu, Liang,Chen, Pinhong,Liu, Guosheng

supporting information, p. 7415 - 7419 (2018/06/08)

A novel asymmetric 6-endo aminoacetoxylation of unactivated alkenes by palladium catalysis, which yields chiral β-acetoxylated piperidines with excellent chemo-, regio- and enantioselectivities under very mild reaction conditions, has been established herein by employing a new designed pyridine-oxazoline (Pyox) ligand. Importantly, introducing a sterically bulky group into the C-6 position of Pyox is crucial to enhance the reactivity of the aminoacetoxylation of alkenes.

Enantioselective Palladium-Catalyzed Oxidative Cascade Cyclization of Aliphatic Alkenyl Amides

Du, Wei,Gu, Qiangshuai,Li, Yang,Lin, Zhenyang,Yang, Dan

supporting information, p. 316 - 319 (2017/04/21)

The catalyst system of Pd(TFA)2/(S,S)-diPh-pyrox is reported to promote the highly efficient enantioselective oxidative cascade cyclization of alkene-tethered aliphatic acrylamides under mild aerobic conditions. A series of pyrrolizidine derivatives have been synthesized in good yield and excellent enantioselectivity. Deuterium-labeling experiments have revealed that the reaction proceeded through an anti-aminopalladation (anti-AP) pathway with high selectivity. The transition states for the anti-AP step have been calculated to account for the observed enantioselectivity.

Palladium-Catalyzed Aerobic Oxidative Cyclization of Aliphatic Alkenyl Amides for the Construction of Pyrrolizidine and Indolizidine Derivatives

Lo, Kai-Yip,Ye, Liu,Yang, Dan

supporting information, p. 1570 - 1575 (2017/08/11)

An efficient palladium-catalyzed aerobic oxidative cyclization has been developed to synthesize a variety of pyrrolizidine and indolizidine derivatives from simple aliphatic alkenyl amides in moderate to good yields. The reaction features the capability of accessing various N-heterocycles and the use of molecular oxygen (1 atm) as the green oxidant.

Thioamination of Alkenes with Hypervalent Iodine Reagents

Mizar, Pushpak,Niebuhr, Rebecca,Hutchings, Matthew,Farooq, Umar,Wirth, Thomas

supporting information, p. 1614 - 1617 (2016/02/20)

An efficient thioamination of alkenes mediated by iodine(III) reagents is described. The use of different sulfur nucleophiles allows the flexible synthesis of 1,2-aminothiols from alkenes. By employing chiral iodine(III) reagents, a stereoselective version of the thioamination protocol has also been developed.

Pd(II)-catalyzed allylic C-H amination for the preparation of 1,2- and 1,3-cyclic ureas

Nishikawa, Yasuhiro,Kimura, Seikou,Kato, Yuri,Yamazaki, Natsuka,Hara, Osamu

supporting information, p. 888 - 891 (2015/03/18)

A general synthesis of 1,2- and 1,3-cyclic ureas is accomplished by intramolecular allylic C-H amination employing Pd(TFA)2/bis-sulfoxide as a catalyst. By careful modification of substrates and catalyst, a variety of 1,2-cyclic ureas are accessible from not previously employed terminal olefins substituted in allylic or vinylic positions. Furthermore, MS4A is found to be an effective additive for the synthesis of 1,3-cyclic ureas in good yields and excellent diastereoselectivities.

Copper(II)-catalyzed enantioselective intramolecular cyclization of N-alkenylureas

Fu, Shaomin,Yang, Honghao,Deng, Yuanfu,Jiang, Huanfeng,Zeng, Wei,Li, Guoqiang

supporting information, p. 1018 - 1021 (2015/03/30)

The first Cu(II)-catalyzed highly enantioselective intramolecular cyclization of N-alkenylureas was developed for the concise assembly of chiral vicinal diamino bicyclic heterocycles. Facile removal of carbonyl group of the carbamido moiety allowed for ready access to enantioenriched cyclic vicinal diamines.

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