3-Cyclohexyl-N-(ethanesulfonyl)-D-alanyl-L-proline

Base Information

Chemical Name:3-Cyclohexyl-N-(ethanesulfonyl)-D-alanyl-L-proline
CAS No.:172348-46-8
Molecular Formula:C16H28N2O5S
Molecular Weight:360.475
Hs Code.:
DSSTox Substance ID:DTXSID60572253
Wikidata:Q82460543

Synonyms:3-Cyclohexyl-N-(ethanesulfonyl)-D-alanyl-L-proline;172348-46-8;EtSO2-D-Cha-Pro-OH;SCHEMBL6439113;DTXSID60572253;SODKEQUHMFJKBU-KGLIPLIRSA-N

Suppliers and Price of 3-Cyclohexyl-N-(ethanesulfonyl)-D-alanyl-L-proline

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 1 raw suppliers

Chemical Property of 3-Cyclohexyl-N-(ethanesulfonyl)-D-alanyl-L-proline

Chemical Property:

XLogP3:2.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:360.17189317
Heavy Atom Count:24
Complexity:551

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCS(=O)(=O)NC(CC1CCCCC1)C(=O)N2CCCC2C(=O)O
Isomeric SMILES:CCS(=O)(=O)N[C@H](CC1CCCCC1)C(=O)N2CCC[C@H]2C(=O)O

Technology Process of 3-Cyclohexyl-N-(ethanesulfonyl)-D-alanyl-L-proline

There total 3 articles about 3-Cyclohexyl-N-(ethanesulfonyl)-D-alanyl-L-proline 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: 90.0%

: 194985-27-8
(S)-1-((R)-3-Cyclohexyl-2-ethanesulfonylamino-propionyl)-pyrrolidine-2-carboxylic acid 2-oxo-2-phenyl-ethyl ester

: 172348-46-8
(S)-1-((R)-3-Cyclohexyl-2-ethanesulfonylamino-propionyl)-pyrrolidine-2-carboxylic acid

Guidance literature:: With tetrabutyl ammonium fluoride; In tetrahydrofuran; for 0.666667h; Ambient temperature;
DOI:10.1016/S0960-894X(99)00179-1

Reference yield:

: (S)-1-((R)-2-Amino-3-cyclohexyl-propionyl)-pyrrolidine-2-carboxylic acid 2-oxo-2-phenyl-ethyl ester

: 172348-46-8
(S)-1-((R)-3-Cyclohexyl-2-ethanesulfonylamino-propionyl)-pyrrolidine-2-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 80 percent / Et₃N, pH 8 / CH₂Cl₂ / -78 deg C then 3 h, 0 deg C

2: 90 percent / 1 M TBAF / tetrahydrofuran / 0.67 h / Ambient temperature

With tetrabutyl ammonium fluoride; triethylamine; In tetrahydrofuran; dichloromethane;
DOI:10.1016/S0960-894X(99)00179-1

Reference yield:

: (S)-1-((R)-2-tert-Butoxycarbonylamino-3-cyclohexyl-propionyl)-pyrrolidine-2-carboxylic acid 2-oxo-2-phenyl-ethyl ester

: 172348-46-8
(S)-1-((R)-3-Cyclohexyl-2-ethanesulfonylamino-propionyl)-pyrrolidine-2-carboxylic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 100 percent / TFA / CH₂Cl₂ / 0.5 h / Ambient temperature

2: 80 percent / Et₃N, pH 8 / CH₂Cl₂ / -78 deg C then 3 h, 0 deg C

3: 90 percent / 1 M TBAF / tetrahydrofuran / 0.67 h / Ambient temperature

With tetrabutyl ammonium fluoride; triethylamine; trifluoroacetic acid; In tetrahydrofuran; dichloromethane;
DOI:10.1016/S0960-894X(99)00179-1