Benzyl 2-carbamoylpyrrolidine-1-carboxylate

Base Information

• Chemical Name: Benzyl 2-carbamoylpyrrolidine-1-carboxylate
• CAS No.: 93188-01-3
• Molecular Formula: C13H16N2O3
• Molecular Weight: 248.282
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID30391014
• Nikkaji Number: J1.573.828F
• Mol file: 93188-01-3.mol

Synonyms:benzyl 2-carbamoylpyrrolidine-1-carboxylate;93188-01-3;Z-D-Pro-NH;1-Cbz-pyrrolidine-2-carboxamide;MFCD04115336;Benzyl2-Carbamoylpyrrolidine-1-Carboxylate;Zirconiumnaphthenate;SCHEMBL475629;DTXSID30391014;ZCGHEBMEQXMRQL-UHFFFAOYSA-N;AB3070;AKOS015901281;AB01292;AC-28281;SY036053;CS-0434912;FT-0654478;FT-0654556;1-(Benzyloxycarbonyl)pyrrolidine-2-carboxamide;Carbamoyl-pyrrolidine-1-carboxylic acid benzyl ester;2-carbamoyl-pyrrolidine-1-carboxylic acid benzyl ester;2-CARBAMOYLPYRROLIDINE-1-CARBOXYLIC ACID BENZYL ESTER

Chemical Property of Benzyl 2-carbamoylpyrrolidine-1-carboxylate

Chemical Property:

• Vapor Pressure: 7.61E-09mmHg at 25°C
• Boiling Point: 465.6°C at 760 mmHg
• Flash Point: 235.4°C
• PSA: 72.63000
• Density: 1.263
• LogP: 1.91110
• Storage Temp.: 2-8°C
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 248.11609238
• Heavy Atom Count: 18
• Complexity: 313

Purity/Quality:

97% ^*data from raw suppliers

Benzyl2-carbamoylpyrrolidine-1-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)N

Technology Process of Benzyl 2-carbamoylpyrrolidine-1-carboxylate

There total 4 articles about Benzyl 2-carbamoylpyrrolidine-1-carboxylate 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: 88.0%

N-carbobenzyloxyproline (1148-11-4) → 2-(aminocarbonyl)-1-pyrrolidinecarboxylic acid, phenylmethyl ester (93188-01-3,58274-22-9)

Guidance literature:

N-carbobenzyloxyproline; With 4-methyl-morpholine; In dichloromethane; at 0 ℃; for 0.166667h;

With chloroformic acid ethyl ester; In dichloromethane; at -15 ℃; for 2h;

With ammonia; In dichloromethane; at -20 - 0 ℃; for 1h;

Reference yield:

1-((benzyloxy)carbonyl)pyrrolidine-2-carboxylic (ethyl carbonic) anhydride → 2-(aminocarbonyl)-1-pyrrolidinecarboxylic acid, phenylmethyl ester (93188-01-3,58274-22-9)

Guidance literature:

With ammonia; In dichloromethane; at -20 ℃; for 1h;

DOI:10.1016/0040-4020(96)00030-0

Reference yield:

benzyl chloroformate (501-53-1,94274-21-2) + pyrrolidine-2-carboxylic acid amide (2812-47-7) → 2-(aminocarbonyl)-1-pyrrolidinecarboxylic acid, phenylmethyl ester (93188-01-3,58274-22-9)

Guidance literature:

With sodium hydroxide;

upstream raw materials:

benzyl chloroformate

pyrrolidine-2-carboxylic acid amide

N-carbobenzyloxyproline

Downstream raw materials:

(E/Z)-Z-Pro-Δ Ile

(Z)-Z-Pro-Δ Abu

Z-Pro-Δ Val

tetrahydropyrrolo[1,2-c]imidazol-1,3-dione