(S)-1-Benzyl 3-methyl pyrrolidine-1,3-dicarboxylate

Base Information

• Chemical Name: (S)-1-Benzyl 3-methyl pyrrolidine-1,3-dicarboxylate
• CAS No.: 313706-14-8
• Molecular Formula: C14H17NO4
• Molecular Weight: 263.28900
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID10552080
• Wikidata: Q82432073
• Mol file: 313706-14-8.mol

Synonyms:313706-14-8;(S)-1-Benzyl 3-methyl pyrrolidine-1,3-dicarboxylate;S-1-CBZ-Pyrrolidine-3-carboxylic acid methyl ester;1-O-benzyl 3-O-methyl (3S)-pyrrolidine-1,3-dicarboxylate;(S)-METHYL 1-CBZ-PYRROLIDINE-3-CARBOXYLATE;MFCD11865400;1-benzyl 3-methyl (S)-pyrrolidine-1,3-dicarboxylate;O1-benzyl O3-methyl (3S)-pyrrolidine-1,3-dicarboxylate;1-benzyl 3-methyl (3S)-pyrrolidine-1,3-dicarboxylate;(S)-1-Benzyl3-methylpyrrolidine-1,3-dicarboxylate;SCHEMBL14348062;DTXSID10552080;AKOS016844816;AS-50851;CS-0052624;P11251;A875924;(S)-1-Cbz-pyrrolidine-3-carboxylic acid methyl ester;(3S)-1-Cbz-pyrrolidine-3-carboxylic acid methyl ester

Chemical Property of (S)-1-Benzyl 3-methyl pyrrolidine-1,3-dicarboxylate

Chemical Property:

• PSA: 55.84000
• LogP: 1.75600
• Storage Temp.: 2-8°C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 263.11575802
• Heavy Atom Count: 19
• Complexity: 325

Purity/Quality:

97% ^*data from raw suppliers

S-1-Cbz-pyrrolidine-3-carboxylicAcidMethylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1CCN(C1)C(=O)OCC2=CC=CC=C2
• Isomeric SMILES: COC(=O)[C@H]1CCN(C1)C(=O)OCC2=CC=CC=C2

Technology Process of (S)-1-Benzyl 3-methyl pyrrolidine-1,3-dicarboxylate

There total 1 articles about (S)-1-Benzyl 3-methyl pyrrolidine-1,3-dicarboxylate 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:

pyrrolidine-1,3-dicarboxylic acid 1-benzyl ester 3-methyl ester (188847-00-9,1217655-90-7) → C14H17NO4 (313706-14-8) + (R)-methyl-1-benzyloxycarbonyl-pyrrolidine-3-carboxylate (1217655-90-7) + (R)-1-(tert-butoxycarbonyl)pyrrolidine-3-carboxylic acid (72925-16-7) + (S)-1-N-boc-β-proline (140148-70-5)

Guidance literature:

With lipase M (Mucor javanicus); at 30 ℃; for 24h; pH=7.5; aq. phosphate buffer; Resolution of racemate; Enzymatic reaction;

DOI:10.1021/op8002097

upstream raw materials:

pyrrolidine-1,3-dicarboxylic acid 1-benzyl ester 3-methyl ester