ethyl (5S)-5-cyano-L-prolinate

Base Information

Chemical Name:ethyl (5S)-5-cyano-L-prolinate
CAS No.:435274-88-7
Molecular Formula:C₈H₁₂N₂O₂
Molecular Weight:168.195
Hs Code.:
DSSTox Substance ID:DTXSID80457533
Nikkaji Number:J1.690.764B
Wikidata:Q82280405
Mol file:435274-88-7.mol

Synonyms:435274-88-7;Ethyl (2S,5S)-5-cyanopyrrolidine-2-carboxylate;ethyl (5S)-5-cyano-L-prolinate;L-Proline, 5-cyano-,ethyl ester, (5S)-;(2S,5S)-ethyl 5-cyanopyrrolidine-2-carboxylate;(5S)-5-CYANO-L-PROLINE ETHYL ESTER;SCHEMBL13567704;DTXSID80457533;WGPRYWGHOIXWPQ-BQBZGAKWSA-N;5beta-Cyano-L-proline ethyl ester;MFCD08274548;AKOS005264934;BS-42794;CS-0184633;(2S,5S)-ethyl5-cyanopyrrolidine-2-carboxylate;P19671;Ethyl (2S,5S)-5-cyano-2-pyrrolidinecarboxylate

Suppliers and Price of ethyl (5S)-5-cyano-L-prolinate

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

Matrix Scientific
Ethyl (2S,5S)-5-cyano-2-pyrrolidinecarboxylate
1g
$ 432.00

Matrix Scientific
Ethyl (2S,5S)-5-cyano-2-pyrrolidinecarboxylate
10g
$ 1602.00

Matrix Scientific
Ethyl (2S,5S)-5-cyano-2-pyrrolidinecarboxylate
5g
$ 1206.00

American Custom Chemicals Corporation
(5S)-5-CYANO-L-PROLINE ETHYL ESTER 95.00%
5MG
$ 501.78

Total 7 raw suppliers

Chemical Property of ethyl (5S)-5-cyano-L-prolinate

Chemical Property:

Boiling Point:290.1±40.0 °C(Predicted)
PKA:4.79±0.10(Predicted)
PSA：62.12000
Density:1.13±0.1 g/cm3(Predicted)
LogP:0.52248
XLogP3:0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:168.089877630
Heavy Atom Count:12
Complexity:218

Purity/Quality:

99%, ^*data from raw suppliers

Ethyl (2S,5S)-5-cyano-2-pyrrolidinecarboxylate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1CCC(N1)C#N
Isomeric SMILES:CCOC(=O)[C@@H]1CC[C@H](N1)C#N

Technology Process of ethyl (5S)-5-cyano-L-prolinate

There total 2 articles about ethyl (5S)-5-cyano-L-prolinate 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:

: 7149-65-7
ethyl (S)-pyroglutamate

: 435274-88-7
(2S,5S)-5-Cyano-pyrrolidine-2-carboxylic acid ethyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: 47 percent / Cp₂ZrHCl / tetrahydrofuran / 3 h / -20 - 20 °C

2: 1 h

With Schwartz's reagent; In tetrahydrofuran;
DOI:10.1016/S0040-4039(02)00097-7