Carbamic acid, (6-oxo-1-cyclohexen-1-yl)-, methyl ester

Base Information

Chemical Name:Carbamic acid, (6-oxo-1-cyclohexen-1-yl)-, methyl ester
CAS No.:172686-91-8
Molecular Formula:C8H11NO3
Molecular Weight:169.18
Hs Code.:
DSSTox Substance ID:DTXSID60473458
Nikkaji Number:J2.279.532E
Wikidata:Q82302868
Mol file:172686-91-8.mol

Synonyms:172686-91-8;Carbamic acid, (6-oxo-1-cyclohexen-1-yl)-, methyl ester;methyl 6-oxo-1-cyclohexen-1-ylcarbamate;DTXSID60473458;N-(6-oxo-1-cyclohexenyl)-carbamic acid methyl ester

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

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Chemical Property of Carbamic acid, (6-oxo-1-cyclohexen-1-yl)-, methyl ester

Chemical Property:

XLogP3:0.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:169.07389321
Heavy Atom Count:12
Complexity:233

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC(=O)NC1=CCCCC1=O

Technology Process of Carbamic acid, (6-oxo-1-cyclohexen-1-yl)-, methyl ester

There total 3 articles about Carbamic acid, (6-oxo-1-cyclohexen-1-yl)-, methyl ester 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: 48.0%

: 1517-01-7
2-azidocyclohexan-1-one

: 79-22-1
methyl chloroformate

: 172686-91-8
2-(methoxycarbonylamino)-cyclohex-2-en-1-one

Guidance literature:: With sodium perrhenate; trifluorormethanesulfonic acid; at 55 ℃;
DOI:10.1016/0040-4020(95)00681-W

Reference yield:

: 80522-46-9
1-triisopropylsiloxy-1-cyclohexene

: 172686-91-8
2-(methoxycarbonylamino)-cyclohex-2-en-1-one

Guidance literature:: Multi-step reaction with 2 steps

1: 68 percent / sodium azide; (NH₄)2Ce(NO₃)6 / acetonitrile / 1.5 h / -20 °C

2: 38 percent / trifluoroacetic acid; sodium perrhenate / 6 h / 55 °C

With sodium azide; sodium perrhenate; ammonium cerium(IV) nitrate; trifluoroacetic acid; In acetonitrile;
DOI:10.1016/j.tet.2005.11.036

Reference yield:

: 108-94-1,11119-77-0,9003-41-2,9075-99-4
cyclohexanone

: 172686-91-8
2-(methoxycarbonylamino)-cyclohex-2-en-1-one

Guidance literature:: Multi-step reaction with 3 steps

1: 95 percent / triethylamine / CH₂Cl₂ / 1 h / 0 °C

2: 68 percent / sodium azide; (NH₄)2Ce(NO₃)6 / acetonitrile / 1.5 h / -20 °C

3: 38 percent / trifluoroacetic acid; sodium perrhenate / 6 h / 55 °C

With sodium azide; sodium perrhenate; ammonium cerium(IV) nitrate; triethylamine; trifluoroacetic acid; In dichloromethane; acetonitrile;
DOI:10.1016/j.tet.2005.11.036