4-Benzoyl-4-(2-cyanoethyl)heptanedinitrile

Base Information

Chemical Name:4-Benzoyl-4-(2-cyanoethyl)heptanedinitrile
CAS No.:5342-96-1
Molecular Formula:C17H17N3O
Molecular Weight:279.3364
Hs Code.:2926909090
European Community (EC) Number:654-550-7
NSC Number:405546,3685
UNII:BN8DCS3ZXM
DSSTox Substance ID:DTXSID10201586
Nikkaji Number:J51.104H
Mol file:5342-96-1.mol

Synonyms:4-benzoyl-4-(2-cyanoethyl)heptanedinitrile;5342-96-1;Phenacylidynetripropionitrile;Tris(cyanoethyl)acetophenone;Propionitrile, phenacylidynetri-;BN8DCS3ZXM;Heptanedinitrile, 4-benzoyl-4-(2-cyanoethyl)- (6CI,9CI);Heptanedinitrile, 4-benzoyl-4-(2-cyanoethyl)-;NSC-3685;NSC-405546;4-(2-cyanoethyl)-4-(phenylcarbonyl)heptanedinitrile;NSC 3685;NSC 405546;BRN 2144045;AI3-16027;UNII-BN8DCS3ZXM;3-10-00-04131 (Beilstein Handbook Reference);SCHEMBL11620954;DTXSID10201586;NSC3685;BBL023471;MFCD00019881;NSC405546;STK725169;AKOS000581088;VS-07439;CS-0314719;2,2,2-TRIS(2-CYANOETHYL)ACETOPHENONE;SR-01000392067;alpha,alpha,alpha-tris-(beta-cyanoethyl)acetophenone;PROPIONITRILE, 3,3',3''-PHENACYLIDYNETRI-;SR-01000392067-1;Z56768663

Suppliers and Price of 4-Benzoyl-4-(2-cyanoethyl)heptanedinitrile

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
Packaging
price

Matrix Scientific
4-Benzoyl-4-(2-cyanoethyl)heptanedinitrile
1g
$ 195.00

American Custom Chemicals Corporation
TRIS(2-CYANOETHYL)ACETOPHENONE 95.00%
250MG
$ 727.65

AK Scientific
4-Benzoyl-4-(2-cyanoethyl)heptanedinitrile
1g
$ 313.00

Total 9 raw suppliers

Chemical Property of 4-Benzoyl-4-(2-cyanoethyl)heptanedinitrile

Chemical Property:

Vapor Pressure:4.76E-13mmHg at 25°C
Boiling Point:571°Cat760mmHg
Flash Point:299.1°C
PSA：88.44000
Density:1.118g/cm³
LogP:3.76704
XLogP3:1.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:279.137162174
Heavy Atom Count:21
Complexity:440

Purity/Quality:: 4-Benzoyl-4-(2-cyanoethyl)heptanedinitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 4-Benzoyl-4-(2-cyanoethyl)heptanedinitrile

There total 4 articles about 4-Benzoyl-4-(2-cyanoethyl)heptanedinitrile 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: 35.0%

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

: 98-86-2
acetophenone

: 100869-93-0
4-benzoylheptanedinitrile

: 5342-96-1
4-benzoyl-4-(2-cyanoethyl)heptanedinitrile

Guidance literature:: With macroporous anion exchange resin (A-2XMP); at 20 ℃; for 1h; Concentration; Solvent; Overall yield = 80 %; regioselective reaction; Catalytic behavior; Green chemistry;