Methyl pyrrolidine-3-carboxylate hydrochloride

Base Information

• Chemical Name: Methyl pyrrolidine-3-carboxylate hydrochloride
• CAS No.: 198959-37-4
• Molecular Formula: C₆H₁₁NO₂*ClH
• Molecular Weight: 165.62
• Hs Code.: 2933990090
• European Community (EC) Number: 676-272-5
• DSSTox Substance ID: DTXSID20598217
• Mol file: 198959-37-4.mol

Synonyms:198959-37-4;methyl pyrrolidine-3-carboxylate hydrochloride;Methyl 3-pyrrolidinecarboxylate HCl;Methyl 3-pyrrolidinecarboxylate hydrochloride;MFCD08436169;3-Pyrrolidinecarboxylic acid, methyl ester, hydrochloride (1:1);methyl 3-pyrrolidine carboxylate hydrochloride;methyl pyrrolidine-3-carboxylate;hydrochloride;methyl beta-dl-prolinate hydrochloride;methyl 3-pyrrolidine-carboxylate hydrochloride;pyrrolidine-3-carboxylic acid methyl ester hydrochloride;Methyl beta-DL-prolinate HCl;MFCD11840196;3-Pyrrolidinecarboxylic acid, methyl ester, hydrochloride;methylpyrrolidine-3-carboxylatehydrochloride;methyl3-pyrrolidine-carboxylate hydrochloride;Methyl3- pyrrolidine-carboxylate hydrochloride;Methyl 3-pyrrolidinecarboxylate Hydrochloric acid;SCHEMBL594534;DTXSID20598217;VVBSXSVVMNGQIN-UHFFFAOYSA-N;BCP05702;Methyl -DL-prolinate hydrochloride;AKOS005217010;BCP9000915;CS-W001842;SB10230;SB10232;methyl 3-pyrrolidinecarboxylate hcl salt;Methyl beta -DL-prolinate hydrochloride;AC-27727;AS-18195;SY008084;SY097075;SY105039;3-(methoxycarbonyl)pyrrolidine hydrochloride;DB-059955;DB-065985;A4356;AM20120502;methylpyrrolidine 3-carboxylate hydrochloride;methylpyrrolidine-3-carboxylate hydrochloride;EN300-59826;methyl pyrrolidine-3-carboxylate,hydrochloride;methyl-3-pyrrolidine carboxylate hydrochloride;Methyl 3- pyrrolidine-carboxylate hydrochloride;J-012852;J-502260;J-522634;Methyl (R)-Pyrrolidine-3-carboxylate Hydrochloride;Methyl (S)-Pyrrolidine-3-carboxylate Hydrochloride;Z1162448855;Methyl pyrrolidine-3-carboxylate--hydrogen chloride (1/1);rac-pyrrolidine-3-carboxylic acid methyl ester hydrochloride;(R/S)-Pyrrolidin-3-yl carboxylic acid, methyl ester hydrochloride salt;tert-Butyl2,4-dichloro-5,6,8,9-tetrahydropyrimido[4,5-d]azepine-7-carboxylate

Chemical Property of Methyl pyrrolidine-3-carboxylate hydrochloride

Chemical Property:

• Vapor Pressure: 0.135mmHg at 25°C
• Boiling Point: 213.6 °C at 760 mmHg
• Flash Point: 83 °C
• PSA: 38.33000
• LogP: 0.89970
• 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: 2
• Exact Mass: 165.0556563
• Heavy Atom Count: 10
• Complexity: 114

Purity/Quality:

99% ^*data from raw suppliers

Methylpyrrolidine-3-carboxylatehydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1CCNC1.Cl

Technology Process of Methyl pyrrolidine-3-carboxylate hydrochloride

There total 1 articles about Methyl pyrrolidine-3-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:

methanol (67-56-1) + (S)-(+)-3-pyrrolidinecarboxylic acid (72580-53-1) → methyl (S)-pyrrolidine-3-carboxylate hydrochloride (1099646-61-3,198959-37-4)

Guidance literature:

With thionyl chloride; at 0 - 20 ℃; for 3h;

Reference yield: 95.0%

di-tert-butyl dicarbonate (24424-99-5) + (R)-methyl pyrrolidine-3-carboxylate hydrochloric acid (198959-37-4) → (R)-methyl-1-tert-butoxycarbonyl-pyrrolidine-3-carboxylate (441717-40-4)

Guidance literature:

With triethylamine; In dichloromethane; at 0 ℃; for 1h;

Reference yield:

pyrrolidine-3-carboxylic acid methyl ester hydrochloride (198959-37-4) → 1-benzyl 3-methyl 3-methylpyrrolidine-1,3-dicarboxylate (912444-74-7)

Guidance literature:

Multi-step reaction with 2 steps

1.1: potassium carbonate / tetrahydrofuran; water / 2 h / 0 - 20 °C

2.1: lithium hexamethyldisilazane / tetrahydrofuran / 0.33 h / -78 °C

2.2: -78 - 20 °C

With potassium carbonate; lithium hexamethyldisilazane; In tetrahydrofuran; water;

upstream raw materials:

methanol

(S)-(+)-3-pyrrolidinecarboxylic acid

Downstream raw materials:

1-benzyl 3-methyl 3-methylpyrrolidine-1,3-dicarboxylate

(R)-methyl-1-tert-butoxycarbonyl-pyrrolidine-3-carboxylate