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Hept-2-enenitrile, also known as 2-heptenenitrile or 2-cyanohexene, is a colorless to pale yellow liquid chemical compound with the molecular formula C7H11N. It has a sharp, cyanide-like odor and is primarily used as an intermediate in the production of various chemicals, including pharmaceuticals, agrochemicals, and other organic compounds. It is also used in organic synthesis and as a specialty solvent. Hept-2-enenitrile is considered to be highly flammable and may be harmful if inhaled, ingested, or absorbed through the skin, and appropriate precautions should be taken when handling it.

66478-41-9

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66478-41-9 Usage

Uses

Used in Pharmaceutical Industry:
Hept-2-enenitrile is used as an intermediate in the production of various pharmaceuticals for its ability to be transformed into a wide range of chemical compounds.
Used in Agrochemical Industry:
Hept-2-enenitrile is used as an intermediate in the production of various agrochemicals for its versatility in creating different chemical compounds used in agriculture.
Used in Organic Synthesis:
Hept-2-enenitrile is used as a building block in organic synthesis for its ability to be converted into a variety of organic compounds.
Used as a Specialty Solvent:
Hept-2-enenitrile is used as a specialty solvent for its unique properties that make it suitable for specific applications in various industries.

Check Digit Verification of cas no

The CAS Registry Mumber 66478-41-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 6,6,4,7 and 8 respectively; the second part has 2 digits, 4 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 66478-41:
(7*6)+(6*6)+(5*4)+(4*7)+(3*8)+(2*4)+(1*1)=159
159 % 10 = 9
So 66478-41-9 is a valid CAS Registry Number.

66478-41-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name (2S)-2-[[2-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]acetyl]amino]propanoic acid,trihydrate

1.2 Other means of identification

Product number -
Other names cis-hept-2-enenitrile

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:66478-41-9 SDS

66478-41-9Downstream Products

66478-41-9Relevant academic research and scientific papers

Synthesis of α,β-unsaturated aldehydes and nitriles via cross-metathesis reactions using Grubbs' catalysts

Rountree, Sandra M.,Taylor, Sarah F.R.,Hardacre, Christopher,Lagunas, M. Cristina,Davey, Paul N.

, p. 94 - 104 (2015/09/28)

A series of α,β-unsaturated aldehydes and nitriles of significant interest in the fragrance industry have been prepared using Grubbs' catalysts in cross-metathesis reactions of electron-deficient olefins (i.e., acrolein, crotonaldehyde, methacrolein, and acrylonitrile) with various 1-alkenes, including 1-decene, 1-octene, 1-hexene and 2-allyloxy-6-methylheptane. The latter is of particular interest, as it has not previously being used as a substrate in cross-metathesis reactions and allows access to valuable intermediates for the synthesis of new fragrances. Most reactions gave good selectivity of the desired CM product (≥90%). Detailed optimisation and mechanistic studies have been performed on the cross-metathesis of acrolein with 1-decene. Recycling of the catalyst has been attempted using ionic liquids.

ALPHA, BETA, UNSATURATED NITRILES AS FRAGRANCES

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Page/Page column 5, (2008/06/13)

The use of short chain α,β-unsaturated nitriles as flavour and fragrance ingredient and flavour and fragrance applications comprising them.

Highly active phosphine-free carbene ruthenium catalyst for cross-metathesis of acrylonitrile with functionalized olefins

Bai, Chen-Xi,Zhang, Wen-Zhen,He, Ren,Lu, Xiao-Bing,Zhang, Zhi-Qiang

, p. 7225 - 7228 (2007/10/03)

The carbene ruthenium complex [1,3-bis(2,6-dimethylphenyl)-4,5- dihydroimidazol-2-ylidene](C5H5N)2(Cl) 2RuCHPh (8) was prepared by the reaction of [1,3-bis (2,6-dimethylphenyl)-4,5-dihydroimidazol-2-ylidene](PPh3)(Cl) 2RuCHPh (7) with pyridine and used as a highly effective catalyst for the cross-metathesis of acrylonitrile with various functionalized olefins.

The Cyanation of Vinyl Halides with Alkali Cyanides Catalyzed by Nickel(0)-Phosphine Complexes Generated In Situ: Synthetic and Stereochemical Aspects

Sakakibara, Yasumasa,Enami, Hiroji,Ogawa, Hiroshi,Fujimoto, Shinpei,Kato, Hiroyuki,et al.

, p. 3137 - 3144 (2007/10/03)

The cyanation of β-bromostyrenes catalyzed by Ni(PPh3)n, which was generated in situ from NiBr2(PPh3)2-Zn-PPh3 (Ni:Zn:P=1:3:2 molar ratio), was at first examined with various MCN (M=K, Na)-dipolar aprotic solvent systems by several procedures.The presence of excess cyanide ion inhibited the reaction.However, when the KCN-DMF system with some intermediate cyanide solubility was used, the nitriles were obtained in high yields and high stereoselectivity at 50 deg C by almost all of the procedures attempted.On the contrary, the KCN-HMPA and KCN-MeCN systems with cyanide solubilities accelerated the coupling of the halides to inhibit the cyanation, and in general the NaCN-DMF and NaCN-HMPA systems with high cyanide solubilities needed to reduce Ni(II) before adding MCN in order to make the catalytic reaction start.Vinyl halides such as 1- and 2-halo (Cl, Br)-1-alkenes, 2-bromo-2-butenes, 3-bromo-3-hexenes, and 1-chlorocyclohexene were also cyanated using suitable procedures and MCN-solvent systems to give the corresponding nitriles in high yields and fair-to-good stereoselectivities.However, with (Z)-2-ethoxy-1-bromoethene the (E)-nitrile, though its selectivity markedly varied with the reaction temperature, was obtained as the main product.The cyanation of ethyl (Z)-β-bromoacrylate and ethyl α-bromoacrylate was unsuccessful due to polymerization.

THE CYANATION OF VINYL HALIDES CATALYZED BY NICKEL(0) COMPLEX GENERATED IN SITU

Sakakibara, Yasumasa,Yadani, Nobuichi,Ibuki, Ichiro,Sakai, Mutsuji,Uchino, Norito

, p. 1565 - 1566 (2007/10/02)

Nickel(0) species generated in situ from NiBr2(PPh3)2-Zn-PPh3 catalyzed the formation of unsaturated nitriles from vinyl halides and potassium cyanide.The reaction proceeded under very mild conditions and was stereoselective.

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