(3-Nitroprop-1-en-2-yl)benzene

Base Information

Chemical Name:(3-Nitroprop-1-en-2-yl)benzene
CAS No.:58502-68-4
Molecular Formula:C9H9NO2
Molecular Weight:163.176
Hs Code.:
DSSTox Substance ID:DTXSID50558884
Nikkaji Number:J2.872.619H
Wikidata:Q82441349

Synonyms:(3-nitroprop-1-en-2-yl)benzene;58502-68-4;1-nitro-2-phenyl-2-propene;SCHEMBL1984045;DTXSID50558884;GBXJALJUIQYMCT-UHFFFAOYSA-N

Suppliers and Price of (3-Nitroprop-1-en-2-yl)benzene

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

Total 0 raw suppliers

Chemical Property of (3-Nitroprop-1-en-2-yl)benzene

Chemical Property:

XLogP3:2.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:163.063328530
Heavy Atom Count:12
Complexity:178

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C=C(C[N+](=O)[O-])C1=CC=CC=C1

Technology Process of (3-Nitroprop-1-en-2-yl)benzene

There total 13 articles about (3-Nitroprop-1-en-2-yl)benzene 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: 95.0%

: 5670-65-5,15795-70-7,15241-24-4
(E)-1-nitro-2-phenyl-1-propene

: 58502-68-4
1-(1-nitroprop-2-en-2-yl)benzene

Guidance literature:: With tert.-butylhydroperoxide; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; iodine; sodium 4-methylbenzenesulfinate; In dimethyl sulfoxide; at 80 ℃; for 2h; Temperature;
DOI:10.1021/acs.joc.7b02595

Reference yield: 50.0%

: 5670-65-5,15795-70-7,15241-24-4
(E)-1-nitro-2-phenyl-1-propene

: 109757-73-5,7796-75-0
1-nitro-2-phenylpropane

: 58502-68-4
1-(1-nitroprop-2-en-2-yl)benzene

Guidance literature:: With water; poly(methylhydrosiloxane); In toluene; at 20 ℃; for 22.0833h;

Reference yield: 20.0%

: 5670-65-5,15795-70-7,15241-24-4
(E)-1-nitro-2-phenyl-1-propene

: 58502-68-4
1-(1-nitroprop-2-en-2-yl)benzene

: 7796-75-0,109757-73-5
(+)-(R)-1-nitro-2-phenylpropane

: 746647-15-4
(S)-1-nitro-2-phenylpropane

Guidance literature:: With (1R,1’R,2S,2’S)-2,2’-di-tert-butyl-2,3,2’,3’-tetrahydro-1H,1‘H-(1,1‘)biisophosphindolyl; Rh(norbornadiene)2SbF₆; hydrogen; In dichloromethane; at 45 ℃; for 22h; under 45603.1 Torr; optical yield given as %ee; enantioselective reaction; Autoclave;
DOI:10.1002/anie.201202715