Cyclohexa-1,4-diene-1-carboxamide

Base Information

Chemical Name:Cyclohexa-1,4-diene-1-carboxamide
CAS No.:95673-77-1
Molecular Formula:C7H9NO
Molecular Weight:123.155
Hs Code.:
DSSTox Substance ID:DTXSID60540856
Wikidata:Q82416984

Synonyms:Cyclohexa-1,4-diene-1-carboxamide;95673-77-1;DTXSID60540856;AKOS006359798

Suppliers and Price of Cyclohexa-1,4-diene-1-carboxamide

Supply Marketing:

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

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Chemical Property of Cyclohexa-1,4-diene-1-carboxamide

Chemical Property:

XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:123.068413911
Heavy Atom Count:9
Complexity:179

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C=CCC(=C1)C(=O)N

Technology Process of Cyclohexa-1,4-diene-1-carboxamide

There total 1 articles about Cyclohexa-1,4-diene-1-carboxamide 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: 68.0%

: 95673-76-0
Cyclohexa-1,4-dienecarbonyl chloride

: 95673-77-1
1,4-cyclohexadiene-1-carboxamide

Guidance literature:: With ammonium hydroxide;
DOI:10.1021/jo00210a005

Reference yield: 100.0%

: 95673-77-1
1,4-cyclohexadiene-1-carboxamide

: 95673-83-9
4,5-dibromocyclohex-1-ene-1-carboxamide

Guidance literature:: With bromine; In chloroform; at -40 ℃;
DOI:10.1021/jo00210a005

Reference yield:

: 95673-77-1
1,4-cyclohexadiene-1-carboxamide

: 95673-81-7
oxepinamide D

Guidance literature:: Multi-step reaction with 3 steps

1: 100 percent / Br₂ / CHCl₃ / -40 °C

2: 92 percent / Na₂HPO₄, trifluoroperoxyacetic acid / CH₂Cl₂ / 46 h / Heating

3: 68 percent / 1,5-diazabicyclo<4.3.0>non-5-ene (DBN) / tetrahydrofuran

With disodium hydrogenphosphate; trifluoroacetyl peroxide; DBN; bromine; In tetrahydrofuran; dichloromethane; chloroform;
DOI:10.1021/jo00210a005