3,3'-(1,3-Phenylene)dipropanenitrile

Base Information

Chemical Name:3,3'-(1,3-Phenylene)dipropanenitrile
CAS No.:95104-52-2
Molecular Formula:C12H12N2
Molecular Weight:184.241
Hs Code.:
ChEMBL ID:CHEMBL1475935
DSSTox Substance ID:DTXSID00536157
Wikidata:Q82410734

Synonyms:95104-52-2;3,3'-(1,3-Phenylene)dipropanenitrile;MLS001075814;CHEMBL1475935;DTXSID00536157;HMS2194C18;HMS3337I16;SMR000639294

Suppliers and Price of 3,3'-(1,3-Phenylene)dipropanenitrile

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 3,3'-(1,3-Phenylene)dipropanenitrile

Chemical Property:

XLogP3:1.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:184.100048391
Heavy Atom Count:14
Complexity:226

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC(=C1)CCC#N)CCC#N

Technology Process of 3,3'-(1,3-Phenylene)dipropanenitrile

There total 5 articles about 3,3'-(1,3-Phenylene)dipropanenitrile which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 74.0%

: 626-18-6
1,3-dimethanol benzene

: 75-05-8,26809-02-9
acetonitrile

: 95104-52-2
1,3-Bis<2-cyanoethyl>benzene

Guidance literature:: 1,3-dimethanol benzene; acetonitrile; With caesium carbonate; at 180 ℃; for 0.333333h; Microwave irradiation; Inert atmosphere;

With bis(1,5-cyclooctadiene)diiridium(I) dichloride; at 180 ℃; for 0.666667h; Microwave irradiation; Inert atmosphere;
DOI:10.1021/ol2015972

Reference yield: 36.0%

: 590-17-0
cyanomethyl bromide

: 626-15-3
1,3-bis-(bromomethyl)benzene

: 95104-52-2
1,3-Bis<2-cyanoethyl>benzene

Guidance literature:: With nickel; In 1,2-dimethoxyethane; at 85 ℃; for 0.25h;
DOI:10.1055/s-1984-30990

Reference yield:

: 46133-05-5
1,3-Bis(2'-hydroxyethyl)benzene

: 95104-52-2
1,3-Bis<2-cyanoethyl>benzene

Guidance literature:: Multi-step reaction with 2 steps

1: SOCl₂ / pyridine

2: ethanol; H₂O

With thionyl chloride; In pyridine; ethanol; water;
DOI:10.1007/BF00957551