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706-03-6

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706-03-6 Usage

Description

3-(Benzylamino)propionitrile is a clear, colorless liquid that is a key intermediate in the synthesis of various biologically active compounds. It is known for its ability to undergo aza-type Michael reactions with 1-hydroxymethyl-5-methyl-1H-pyrazole-3-carboxylic acid ethyl ester under mild conditions.

Uses

Used in Pharmaceutical Industry:
3-(Benzylamino)propionitrile is used as a starting reagent for the synthesis of key chiral building blocks for the development of biologically active compounds. It plays a crucial role in the production of pharmaceuticals with potential therapeutic applications.
Used in Organic Chemistry:
3-(Benzylamino)propionitrile is used in the Michael addition of primary and secondary amines to acrylonitrile, which is catalyzed by lipases. This reaction is an important organic synthesis process that contributes to the development of new chemical compounds.
Used in Synthesis of Specific Compounds:
3-(Benzylamino)propionitrile is used as a starting reagent in the synthesis of several specific compounds, including:
1. (3R,4S)-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid, a key chiral building block for the synthesis of biologically active compounds.
2. 1-[benzyl-(2-cyano-ethyl)-amino]-methyl-5-methyl-1H-pyrazole-3-carboxylic acid ethyl ester, a compound with potential applications in various fields.
3. 3-[benzyl-(3,5-dimethyl-pyrazol-1-ylmethyl)-amino]-propionitrile, another compound that can be used in the development of new chemical entities.

Check Digit Verification of cas no

The CAS Registry Mumber 706-03-6 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 7,0 and 6 respectively; the second part has 2 digits, 0 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 706-03:
(5*7)+(4*0)+(3*6)+(2*0)+(1*3)=56
56 % 10 = 6
So 706-03-6 is a valid CAS Registry Number.
InChI:InChI=1/C10H12N2/c11-7-4-8-12-9-10-5-2-1-3-6-10/h1-3,5-6,12H,4,8-9H2/p+1

706-03-6 Well-known Company Product Price

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  • Alfa Aesar

  • (41949)  3-(Benzylamino)propionitrile, 97+%   

  • 706-03-6

  • 5g

  • 251.0CNY

  • Detail
  • Alfa Aesar

  • (41949)  3-(Benzylamino)propionitrile, 97+%   

  • 706-03-6

  • 25g

  • 900.0CNY

  • Detail
  • Alfa Aesar

  • (41949)  3-(Benzylamino)propionitrile, 97+%   

  • 706-03-6

  • 100g

  • 3593.0CNY

  • Detail
  • Alfa Aesar

  • (41949)  3-(Benzylamino)propionitrile, 97+%   

  • 706-03-6

  • 500g

  • 11684.0CNY

  • Detail

706-03-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-(BENZYLAMINO)PROPIONITRILE

1.2 Other means of identification

Product number -
Other names Propanenitrile, 3-[(phenylmethyl)amino]-

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:706-03-6 SDS

706-03-6Relevant articles and documents

Crystal and molecular structure of N,N,N′,N′-tetra(2- nitrilethyl) ethane-1,2-diamine and N-(2-nitrilethyl)benzylamine hydrobromide

Gao,Xu,Xu,Ni,Liu

, p. 383 - 386 (2006)

N,N,N′,N′-tetra(2-nitrilethyl) ethane-1,2-diamine and N-(2-nitrilethyl)benzylamine hydrobromide were prepared by the addition reaction of acrylonitrile with corresponding amines, and the two structures were determined by X-ray single crystal diffraction. The two compounds crystallize in monoclinic system, and almost no classical hydrogen bond exists in the two crystal structures.

Synthesis and structure-activity relationship study of arylsulfonamides as novel potent H5N1 inhibitors

Yu, Yongshi,Tang, Qi,Xu, Zhichao,Li, Siliang,Jin, Mengyu,Zhao, Zixuan,Dong, Chune,Wu, Shuwen,Zhou, Hai-Bing

, p. 206 - 216 (2018/10/15)

H5N1 virus, one subtype of highly pathogenic influenza A virus in human infection, has recently received attention due to its unpredictable and high mortality. In this study, a series of arylsulfonamide derivatives were identified as improved H5N1 inhibitors for the influenza treatment by systematic structure-activity relationship investigation. Among them, the most potent H5N1 inhibitor 3h exhibited excellent antiviral activity against H5N1 virus with EC50 value of 0.006 μM and selectivity index 33543.3. Moreover, the molecular docking of 3h with M2 proton channel protein provides practical way for understanding the inhibition of H5N1 with this kind of compounds.

Probing Carbocatalytic Activity of Carbon Nanodots for the Synthesis of Biologically Active Dihydro/Spiro/Glyco Quinazolinones and Aza-Michael Adducts

Majumdar, Biju,Mandani, Sonam,Bhattacharya, Tamalika,Sarma, Daisy,Sarma, Tridib K.

, p. 2097 - 2106 (2017/02/26)

Herein, we report the fluorescent carbon dots as an effective and recyclable carbocatalyst for the generation of carbon-heteroatom bond leading to quinazolinone derivatives and aza-Michael adducts under mild reaction conditions. The results establish this nanoscale form of carbon as an alternative carbocatalyst for important acid catalyzed organic transformations. The mild surface acidity of carbon dots imparted by -COOH functionality could effectively catalyze the formation of synthetically challenging spiro/glycoquinazolinones under the present reaction conditions.

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