Propanedinitrile, (1-methyl-2-oxo-2-phenylethyl)-

Base Information

Chemical Name:Propanedinitrile, (1-methyl-2-oxo-2-phenylethyl)-
CAS No.:312307-14-5
Molecular Formula:C12H10N2O
Molecular Weight:198.224
Hs Code.:
DSSTox Substance ID:DTXSID00465059
Nikkaji Number:J1.985.536H
Mol file:312307-14-5.mol

Synonyms:312307-14-5;Propanedinitrile, (1-methyl-2-oxo-2-phenylethyl)-;SCHEMBL194023;DTXSID00465059

Suppliers and Price of Propanedinitrile, (1-methyl-2-oxo-2-phenylethyl)-

Supply Marketing:

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

Manufacturers and distributors:

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Total 0 raw suppliers

Chemical Property of Propanedinitrile, (1-methyl-2-oxo-2-phenylethyl)-

Chemical Property:

XLogP3:1.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:198.079312947
Heavy Atom Count:15
Complexity:308

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of Propanedinitrile, (1-methyl-2-oxo-2-phenylethyl)-

There total 2 articles about Propanedinitrile, (1-methyl-2-oxo-2-phenylethyl)- 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:

: 93-55-0
1-phenyl-propan-1-one

: 312307-14-5
3-benzoyl-2-cyanobutyronitrile

Guidance literature:: Multi-step reaction with 2 steps

1: Bromine / diethyl ether

2: NaH / tetrahydrofuran

With bromine; sodium hydride; In tetrahydrofuran; diethyl ether;
DOI:10.3987/COM-03-S(P)13

Reference yield:

: 2114-00-3
2-bromo-1-phenyl-1-propanone

: 109-77-3
malononitrile

: 312307-14-5
3-benzoyl-2-cyanobutyronitrile

Guidance literature:: With sodium hydride; In tetrahydrofuran;
DOI:10.3987/COM-03-S(P)13

Reference yield: 85.0%

: 312307-14-5
3-benzoyl-2-cyanobutyronitrile

: 4-cyano-3-methyl-2-phenylpyrrole

Guidance literature:: With palladium on activated charcoal; hydrogen; In 1,4-dioxane; at 80 ℃; for 24h; Green chemistry;
DOI:10.1002/cctc.201900154