N-[3-(6-Chloro-3-pyridinyl)-4-oxo-2-cyclohexen-1alpha-yl]carbamic acid tert-butyl ester

Base Information

Chemical Name:N-[3-(6-Chloro-3-pyridinyl)-4-oxo-2-cyclohexen-1alpha-yl]carbamic acid tert-butyl ester
CAS No.:183545-07-5
Molecular Formula:C₁₆H₁₉ClN₂O₃
Molecular Weight:322.791
Hs Code.:
DSSTox Substance ID:DTXSID301115568
Nikkaji Number:J772.863H

Synonyms:DTXSID301115568;N-[3-(6-Chloro-3-pyridinyl)-4-oxo-2-cyclohexen-1alpha-yl]carbamic acid tert-butyl ester;183545-07-5;Carbamic acid, [3-(6-chloro-3-pyridinyl)-4-oxo-2-cyclohexen-1-yl]-, 1,1-dimethylethyl ester, (S)-

Suppliers and Price of N-[3-(6-Chloro-3-pyridinyl)-4-oxo-2-cyclohexen-1alpha-yl]carbamic acid tert-butyl ester

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
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Total 1 raw suppliers

Chemical Property of N-[3-(6-Chloro-3-pyridinyl)-4-oxo-2-cyclohexen-1alpha-yl]carbamic acid tert-butyl ester

Chemical Property:

XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:322.1084202
Heavy Atom Count:22
Complexity:471

Purity/Quality:: 99.90% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)OC(=O)NC1CCC(=O)C(=C1)C2=CN=C(C=C2)Cl
Isomeric SMILES:CC(C)(C)OC(=O)N[C@H]1CCC(=O)C(=C1)C2=CN=C(C=C2)Cl

Technology Process of N-[3-(6-Chloro-3-pyridinyl)-4-oxo-2-cyclohexen-1alpha-yl]carbamic acid tert-butyl ester

There total 5 articles about N-[3-(6-Chloro-3-pyridinyl)-4-oxo-2-cyclohexen-1alpha-yl]carbamic acid tert-butyl 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:

: 183545-05-3
2-chloro-5-(tributylstannyl)pyridine

: 183545-03-1
((S)-3-Bromo-4-oxo-cyclohex-2-enyl)-carbamic acid tert-butyl ester

: 183545-07-5
[(S)-3-(6-Chloro-pyridin-3-yl)-4-oxo-cyclohex-2-enyl]-carbamic acid tert-butyl ester

Guidance literature:: With tris(dibenzylideneacetone)dipalladium⁽⁰⁾ chloroform complex; triphenyl-arsane; In tetrahydrofuran; at 55 ℃; Yield given;
DOI:10.1016/0040-4039(96)01739-X

Reference yield:

: 24424-99-5
di-tert-butyl dicarbonate

: 183545-07-5
[(S)-3-(6-Chloro-pyridin-3-yl)-4-oxo-cyclohex-2-enyl]-carbamic acid tert-butyl ester

Guidance literature:: Multi-step reaction with 4 steps

2: 1.) K₂CO₃; 2.) Dess-Martin periodinane / 1.) CH₃OH, r. t.; 2.) CH₂Cl₂, r. t.

3: 80 percent / Br₂, (C₂H₅)3N / CH₂Cl₂ / 0 °C

4: (dba)3Pd*CHCl₃, Ph₃As / tetrahydrofuran / 55 °C

With tris(dibenzylideneacetone)dipalladium⁽⁰⁾ chloroform complex; triphenyl-arsane; bromine; potassium carbonate; Dess-Martin periodane; triethylamine; In tetrahydrofuran; dichloromethane;
DOI:10.1016/0040-4039(96)01739-X

Reference yield:

: 77300-23-3,881832-47-9
cyclohex-(±)-(1R*,4S*)-2-ene-1,4-diyl dibenzoate

: 183545-07-5
[(S)-3-(6-Chloro-pyridin-3-yl)-4-oxo-cyclohex-2-enyl]-carbamic acid tert-butyl ester

Guidance literature:: Multi-step reaction with 4 steps

2: 1.) K₂CO₃; 2.) Dess-Martin periodinane / 1.) CH₃OH, r. t.; 2.) CH₂Cl₂, r. t.

3: 80 percent / Br₂, (C₂H₅)3N / CH₂Cl₂ / 0 °C

4: (dba)3Pd*CHCl₃, Ph₃As / tetrahydrofuran / 55 °C

With tris(dibenzylideneacetone)dipalladium⁽⁰⁾ chloroform complex; triphenyl-arsane; bromine; potassium carbonate; Dess-Martin periodane; triethylamine; In tetrahydrofuran; dichloromethane;
DOI:10.1016/0040-4039(96)01739-X