(S)-Methyl pyrrolidine-3-carboxylate hydrochloride

Base Information

• Chemical Name: (S)-Methyl pyrrolidine-3-carboxylate hydrochloride
• CAS No.: 1099646-61-3
• Molecular Formula: C6H12ClNO2
• Molecular Weight: 165.62
• Hs Code.: 2933990090
• European Community (EC) Number: 810-659-3
• DSSTox Substance ID: DTXSID40705466
• Mol file: 1099646-61-3.mol

Synonyms:(S)-Methyl pyrrolidine-3-carboxylate hydrochloride;1099646-61-3;methyl (3S)-pyrrolidine-3-carboxylate hydrochloride;methyl (3S)-pyrrolidine-3-carboxylate;hydrochloride;(S)-methyl pyrrolidine-3-carboxylate HCL;MFCD11840196;SCHEMBL17364117;(3S)-3-PYRROLIDINECARBOXYLIC ACID METHYL ESTER HCL;DTXSID40705466;VVBSXSVVMNGQIN-JEDNCBNOSA-N;AMY14571;AKOS015919638;CS-W005089;GS-3836;methyl (S)-pyrrolidine-3-carboxlate HCl;Methyl (S)-pyrrolidine-3-carboxylate HCl;EN300-317189;(S)-Methylpyrrolidine-3-carboxylatehydrochloride;S-3-Pyrrolidinecarboxylic acid methyl ester HCL;methyl (3S)-3-pyrrolidinecarboxylate hydrochloride;Methyl (3S)-pyrrolidine-3-carboxylate--hydrogen chloride (1/1);3-Pyrrolidinecarboxylic acid, methyl ester, hydrochloride (1:1), (3S)-

Chemical Property of (S)-Methyl pyrrolidine-3-carboxylate hydrochloride

Chemical Property:

• PSA: 38.33000
• LogP: 0.89970
• Storage Temp.: Inert atmosphere,Room Temperature
• 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

(S)-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
• Isomeric SMILES: COC(=O)[C@H]1CCNC1.Cl
• Uses: (S)-Methyl Pyrrolidine-3-carboxylate Hydrochloride is a reagent involved in the discovery of a new small molecule agonist scaffold for the APJ receptor, which may help treat cardiovascular diseases and other disorders.

Technology Process of (S)-Methyl pyrrolidine-3-carboxylate hydrochloride

There total 1 articles about (S)-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: 88.0%

methyl (S)-pyrrolidine-3-carboxylate hydrochloride (1099646-61-3,198959-37-4) + (1R)-2-[2-(4-bromo-2-fluorophenyl)-5-cyclopropyl[1,2,4]triazolo[1,5-a]pyridine-7-carbonyl]-1-methyl-1,2,3,4-tetrahydroisoquinoline → methyl (3S)-1-(4-{5-cyclopropyl-7-[(1R)-1-methyl-1,2,3,4-tetrahydroisoquinoline-2-carbonyl][1,2,4]triazolo[1,5-a]pyridin-2-yl}-3-fluorophenyl)pyrrolidine-3-carboxylate

Guidance literature:

With palladium diacetate; caesium carbonate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In 1,4-dioxane; at 100 ℃; for 17h; Inert atmosphere; Sealed tube;

Reference yield: 86.0%

methyl (S)-pyrrolidine-3-carboxylate hydrochloride (1099646-61-3,198959-37-4) + (1R)-2-[2-(4-bromo-2-fluorophenyl)-7-cyclopropylpyrazolo[1,5-c]pyrimidine-5-carbonyl]-1-methyl-1,2,3,4-tetrahydroisoquinoline → methyl (3S)-1-(4-{7-cyclopropyl-5-[(1R)-1-methyl-1,2,3,4-tetrahydroisoquinoline-2-carbonyl]pyrazolo[1,5-c]pyrimidin-2-yl}-3-fluorophenyl)pyrrolidine-3-carboxylate

Guidance literature:

With palladium diacetate; caesium carbonate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In 1,4-dioxane; at 100 ℃; for 18h; Inert atmosphere;

upstream raw materials:

methanol

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

Downstream raw materials:

C₁₂H₁₆N₂O₂

C₁₈H₂₆BNO₄

C₃₁H₃₁N₃O₅

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