(S)-Ethyl pyrrolidine-2-carboxylate hydrochloride

Base Information

• Chemical Name: (S)-Ethyl pyrrolidine-2-carboxylate hydrochloride
• CAS No.: 33305-75-8
• Molecular Formula: C7H13 N O2 . Cl H
• Molecular Weight: 179.647
• Hs Code.: 2933990090
• European Community (EC) Number: 251-449-6
• DSSTox Substance ID: DTXSID90186928
• Mol file: 33305-75-8.mol

Synonyms:33305-75-8;(S)-Ethyl pyrrolidine-2-carboxylate hydrochloride;L-proline ethyl ester hydrochloride;H-Pro-OEt HCl;Ethyl L-prolinate hydrochloride;H-Pro-OEt hydrochloride;ethyl (2S)-pyrrolidine-2-carboxylate;hydrochloride;H-Pro-OEt.HCl;L-Proline ethyl ester HCl;Ethyl L-prolinate HCl;MFCD00191004;EINECS 251-449-6;L-Proline, ethyl ester, hydrochloride;H-Pro-OEt-HCl;(S)-Ethylpyrrolidine-2-carboxylatehydrochloride;Ethyl (2S)-pyrrolidine-2-carboxylate Hydrochloride;SCHEMBL133134;proline ethyl ester hydrochloride;DTXSID90186928;DUJGQVVONTYHLT-RGMNGODLSA-N;H-Pro-OEt hydrochloride, AldrichCPR;AKOS015900667;AM82199;FS-4080;CS-0120026;NS00029454;EN300-140861;(5)-ethyl pyrrolidine-2-carboxylate hydrochloride;A875331;J-521423;2(S)-pyrrolidine-carboxylic acid ethylester hydrochloride

Chemical Property of (S)-Ethyl pyrrolidine-2-carboxylate hydrochloride

Chemical Property:

• Vapor Pressure: 0.519mmHg at 25°C
• Boiling Point: 191.3°Cat760mmHg
• Flash Point: 69.5°C
• PSA: 38.33000
• Density: g/cm³
• LogP: 1.43230
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 179.0713064
• Heavy Atom Count: 11
• Complexity: 125

Purity/Quality:

98%min ^*data from raw suppliers

L-Proline ethyl ester hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-37/38-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1CCCN1.Cl
• Isomeric SMILES: CCOC(=O)[C@@H]1CCCN1.Cl

Technology Process of (S)-Ethyl pyrrolidine-2-carboxylate hydrochloride

There total 4 articles about (S)-Ethyl pyrrolidine-2-carboxylate hydrochloride 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: 100.0%

ethanol (64-17-5) + L-proline (147-85-3,25191-13-3,37159-97-0,4305-67-3,4607-28-7) → L-proline ethyl ester monohydrochloride (33305-75-8,131477-20-8)

Guidance literature:

With hydrogenchloride; for 1h; Heating;

DOI:10.1016/0040-4020(95)00910-Z

Reference yield: 99.2%

→ L-proline ethyl ester monohydrochloride (33305-75-8,131477-20-8)

Guidance literature:

With pyridine; hydrogenchloride; In 1,2-dichloro-ethane; at 20 ℃; for 0.5h;

With hydrogenchloride; In 1,2-dichloro-ethane; at 84 ℃; for 3h; Reflux;

Reference yield: 99.0%

ethanol (64-17-5) + L-threonine (72-19-5,134357-96-3,7013-32-3,82822-12-6) → L-proline ethyl ester monohydrochloride (33305-75-8,131477-20-8)

Guidance literature:

With thionyl chloride; at 80 ℃; for 16h;

upstream raw materials:

ethanol

L-proline

L-threonine

(2S)-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-ethyl ester

Downstream raw materials:

(2S)-ethyl 1-(1,2-diphenylethyl)pyrrolidine-2-carboxylate

ethyl 1-(3-benzyloxy-4-methyl-2-nitrobenzoyl)-L-prolinate

(2S)-ethyl 1-((4-nitrophenoxy)(phenoxy)phosphoryl)pyrrolidine-2-carboxylate

ethyl (2S)-pyrrolidine-2-carboxylate

Refernces

• 1、 Yildirim, Muhammet,Suleiman, Garba. "A practical access to new pyrrolizine carboxylates via KHMDS-catalyzed carbocyclizations". supporting information. p. 463 - 481. Retrieved 2019/01/25.
• 2、 Moshikur, Rahman Md.,Chowdhury, Md. Raihan,Wakabayashi, Rie,Tahara, Yoshiro,Moniruzzaman, Muhammad,Goto, Masahiro. "Characterization and cytotoxicity evaluation of biocompatible amino acid esters used to convert salicylic acid into ionic liquids". . p. 31 - 38. Retrieved 2018/05/28.