2-(1-Phenyl-3-oxobutyl)-2-allylmalononitrile

Base Information

Chemical Name:2-(1-Phenyl-3-oxobutyl)-2-allylmalononitrile
CAS No.:217433-39-1
Molecular Formula:C₁₆H₁₆N₂O
Molecular Weight:252.316
Hs Code.:
DSSTox Substance ID:DTXSID001197901
Nikkaji Number:J1.066.386E

Synonyms:DTXSID001197901;2-(1-Phenyl-3-oxobutyl)-2-allylmalononitrile;2-(3-Oxo-1-phenylbutyl)-2-(2-propen-1-yl)propanedinitrile;217433-39-1

Suppliers and Price of 2-(1-Phenyl-3-oxobutyl)-2-allylmalononitrile

Supply Marketing:

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

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Chemical Property of 2-(1-Phenyl-3-oxobutyl)-2-allylmalononitrile

Chemical Property:

XLogP3:2.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:252.126263138
Heavy Atom Count:19
Complexity:412

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of 2-(1-Phenyl-3-oxobutyl)-2-allylmalononitrile

There total 3 articles about 2-(1-Phenyl-3-oxobutyl)-2-allylmalononitrile 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: 89.0%

: 1118-84-9
allyl acetoacetate

: 2700-22-3
Benzylidenemalononitrile

: 124-38-9,18923-20-1
carbon dioxide

: 217433-39-1
2-allyl-2-(3-oxo-1-phenylbutyl)malononitrile

Guidance literature:: With tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; for 2h; Mechanism; Ambient temperature; other cyano-substituted activated olefins, other reagents: Pd₂(dba)3*CHCl₃-2DPPE, Pd₂(dba)3*CHCl₃-2DPPB, other solvents: acetonitrile, ethanol, CH₂Cl₂, toluene, other temperature and time;
DOI:10.1021/jo981719g

Reference yield: 62.0%

: 2700-22-3
Benzylidenemalononitrile

: 24850-33-7
allyltributylstanane

: 78-95-5
chloroacetone

: 217433-39-1
2-allyl-2-(3-oxo-1-phenylbutyl)malononitrile

Guidance literature:: With tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; at 70 ℃; for 24h;
DOI:10.1021/jo981719g

Reference yield:

: 1118-84-9
allyl acetoacetate

: 100-52-7
benzaldehyde

: 109-77-3
malononitrile

: 217433-39-1
2-allyl-2-(3-oxo-1-phenylbutyl)malononitrile

Guidance literature:: With tetrakis(triphenylphosphine) palladium⁽⁰⁾; tetrabutyl ammonium fluoride; Yield given; Multistep reaction; 1.) THF, 2 h, 2.) THF, room temperature, 2 h;
DOI:10.1021/jo981719g