But-3-en-1-yl 3-phenyl-2H-azirene-2-carboxylate

Base Information

Chemical Name:But-3-en-1-yl 3-phenyl-2H-azirene-2-carboxylate
CAS No.:87696-50-2
Molecular Formula:C₁₃H₁₃NO₂
Molecular Weight:215.252
Hs Code.:
DSSTox Substance ID:DTXSID90520808

Synonyms:87696-50-2;But-3-en-1-yl 3-phenyl-2H-azirene-2-carboxylate;DTXSID90520808

Suppliers and Price of But-3-en-1-yl 3-phenyl-2H-azirene-2-carboxylate

Supply Marketing:

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

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Chemical Property of But-3-en-1-yl 3-phenyl-2H-azirene-2-carboxylate

Chemical Property:

XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:215.094628657
Heavy Atom Count:16
Complexity:303

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C=CCCOC(=O)C1C(=N1)C2=CC=CC=C2

Technology Process of But-3-en-1-yl 3-phenyl-2H-azirene-2-carboxylate

There total 2 articles about But-3-en-1-yl 3-phenyl-2H-azirene-2-carboxylate 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: 34.0%

: 87696-49-9
4-<(3-butenyl)oxy>-2-phenyloxazole

: 87696-50-2
2-<(5-butenyl)carboxy>-3-phenyl-2H-azirine

: 87696-51-3
3-aza-1,6-dioxa-2-phenyltricyclo<3.5.0^5,9>dec-2-ene

Guidance literature:: In benzene; for 35h; Irradiation;
DOI:10.1021/jo00177a001

Reference yield:

: 87696-48-8
3-butenyl hippurate

: 87696-50-2
2-<(5-butenyl)carboxy>-3-phenyl-2H-azirine

Guidance literature:: Multi-step reaction with 2 steps

1: 22 percent / pyridine, phosgene / CHCl₃; toluene / 1.) 25 deg C, 30 min, 2.) 50 deg C, 2 h

2: 41 percent / benzene / 35 h / Irradiation

With pyridine; phosgene; In chloroform; toluene; benzene;
DOI:10.1021/jo00177a001