Benzyl 2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate

Base Information

• Chemical Name: Benzyl 2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate
• CAS No.: 134563-22-7
• Molecular Formula: C17H22N2O3
• Molecular Weight: 302.37
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID00397967
• Pharos Ligand ID: CPTNDVL479SL
• ChEMBL ID: CHEMBL23089
• Mol file: 134563-22-7.mol

Synonyms:benzyl 2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate;CHEMBL23089;1786090-72-9;Benzyl 2-[(pyrrolidin-1-yl)carbonyl]pyrrolidine-1-carboxylate;(R)-Benzyl2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate;SCHEMBL488745;DTXSID00397967;BDBM50038869;BS-34740;FT-0771451;(S)-1Cbz-2-(pyrrolidine-1-carbonyl)pyrrolidine;2-(Pyrrolidine-1-carbonyl)-pyrrolidine-1-carboxylic acid benzyl ester;1-Pyrrolidinecarboxylic acid, 2-(1-pyrrolidinylcarbonyl)-, phenylmethyl ester

Chemical Property of Benzyl 2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate

Chemical Property:

• Vapor Pressure: 1.39E-09mmHg at 25°C
• Refractive Index: 1.583
• Boiling Point: 485.6°C at 760 mmHg
• Flash Point: 247.5°C
• PSA: 49.85000
• Density: 1.233
• LogP: 2.28580
• Storage Temp.: 2-8°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 302.16304257
• Heavy Atom Count: 22
• Complexity: 401

Purity/Quality:

98%min ^*data from raw suppliers

(R)-Benzyl2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(C1)C(=O)C2CCCN2C(=O)OCC3=CC=CC=C3

Technology Process of Benzyl 2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate

There total 3 articles about Benzyl 2-(pyrrolidine-1-carbonyl)pyrrolidine-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: 31.0%

Z-D-proline (1148-11-4,3160-46-1,5618-96-2,6404-31-5,72580-07-5) → Z-D-Pro-pyrrolidine (50888-84-1,134563-22-7)

Guidance literature:

DOI:10.1271/bbb1961.55.37

Reference yield:

pyrrole (109-97-7,30604-81-0) + Z-D-proline (6404-31-5) → (R)-2-(pyrrolidine-1-carbonyl)-pyrrolidine-1-carboxylic acid benzyl ester (134563-22-7)

Guidance literature:

With benzotriazol-1-ol; 1,2-dichloro-ethane; triethylamine; In DMF (N,N-dimethyl-formamide); at 20 ℃; for 18h;

Reference yield:

pyrrolidine (123-75-1) + Z-D-proline (6404-31-5) → (R)-2-(pyrrolidine-1-carbonyl)-pyrrolidine-1-carboxylic acid benzyl ester (134563-22-7)

Guidance literature:

With EDAC; triethanolamine; benzotriazol-1-ol; In N,N-dimethyl-formamide;

upstream raw materials:

Z-D-proline

pyrrole

Z-D-proline

pyrrolidine

Refernces

• 1、 -. "5-ARALKYSUFONYL-3-(PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AS KINASE INHIBITORS". . . Retrieved 2008/06/13.