HEPTANEDINITRILE, 4-(2-CYANOETHYL)-4-p-TOLUOYL-

Base Information

Chemical Name:HEPTANEDINITRILE, 4-(2-CYANOETHYL)-4-p-TOLUOYL-
CAS No.:7461-85-0
Molecular Formula:C18H19N3O
Molecular Weight:0
Hs Code.:2926909090
NSC Number:404116
UNII:6GKF8CD7ZO
DSSTox Substance ID:DTXSID20225596
Nikkaji Number:J49.283C
Wikidata:Q83104631
Mol file:7461-85-0.mol

Synonyms:7461-85-0;4-(2-cyanoethyl)-4-(4-methylbenzoyl)heptanedinitrile;Heptanedinitrile, 4-(2-cyanoethyl)-4-(4-methylbenzoyl)-;HEPTANEDINITRILE, 4-(2-CYANOETHYL)-4-p-TOLUOYL-;6GKF8CD7ZO;NSC 404116;BRN 3386692;Heptanedinitrile, 4-(2-cyanoethyl)-4-(p-toluoyl)-;4-(2-Cyanoethyl)-4-p-toluoylheptanedinitrile;NSC-404116;3-10-00-04132 (Beilstein Handbook Reference);NSC404116;UNII-6GKF8CD7ZO;DTXSID20225596;WLN: NC2X2CN&2CN&VR D1;LS-74318;PROPIONITRILE, .BETA.,.BETA.',.BETA.''-(P-TOLUYLMETHYLIDYNE)TRI-

Suppliers and Price of HEPTANEDINITRILE, 4-(2-CYANOETHYL)-4-p-TOLUOYL-

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 1 raw suppliers

Chemical Property of HEPTANEDINITRILE, 4-(2-CYANOETHYL)-4-p-TOLUOYL-

Chemical Property:

Vapor Pressure:1.94E-13mmHg at 25°C
Boiling Point:579.8°C at 760 mmHg
Flash Point:304.5°C
PSA：88.44000
Density:1.102g/cm³
LogP:4.07544
XLogP3:1.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:293.152812238
Heavy Atom Count:22
Complexity:466

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=C(C=C1)C(=O)C(CCC#N)(CCC#N)CCC#N

Technology Process of HEPTANEDINITRILE, 4-(2-CYANOETHYL)-4-p-TOLUOYL-

There total 2 articles about HEPTANEDINITRILE, 4-(2-CYANOETHYL)-4-p-TOLUOYL- 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: 33.0%

: 107-13-1,25014-41-9
acrylonitrile

: 122-00-9
para-methylacetophenone

: 1321889-26-2
4-(p-methylbenzoyl)heptanedinitrile

: 7461-85-0
4-(p-methyl-benzoyl)-4-(2-cyanoethyl)heptanedinitrile

Guidance literature:: With macroporous anion exchange resin (A-2XMP); at 20 ℃; for 1h; Overall yield = 77 %; regioselective reaction; Green chemistry;