1-Pyrrolidinecarboxylic acid, phenyl ester

Base Information

• Chemical Name: 1-Pyrrolidinecarboxylic acid, phenyl ester
• CAS No.: 55379-71-0
• Molecular Formula: C11H13 N O2
• Molecular Weight: 191.23
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID50203923
• Nikkaji Number: J490.454K
• Wikidata: Q83077367
• ChEMBL ID: CHEMBL1704491
• Mol file: 55379-71-0.mol

Synonyms:55379-71-0;phenyl pyrrolidine-1-carboxylate;1-Pyrrolidinecarboxylic acid, phenyl ester;Pyrrolidine-1-carboxylic acid phenyl ester;HMS1522E08;Maybridge4_000448;PYRROLIDINE-1-CARBOXYLICACIDPHENYLESTER;MLS001181480;SCHEMBL1578826;CHEMBL1704491;DTXSID50203923;phenoxy-pyrrolidin-1-yl-methanone;FYQGHJHASJALLI-UHFFFAOYSA-N;HMS2879B20;MFCD00276291;AKOS006240952;FA-0016;1-Pyrrolidinecarboxylicacid,phenyl ester;IDI1_031030;NCGC00177569-01;pyrrolidine-1-carboxylic acid phenylester;SMR000567252;CS-0322929;BRD-K63109979-001-01-3

Chemical Property of 1-Pyrrolidinecarboxylic acid, phenyl ester

Chemical Property:

• Vapor Pressure: 0.00173mmHg at 25°C
• Boiling Point: 293.4°Cat760mmHg
• Flash Point: 131.2°C
• PSA: 29.54000
• Density: 1.173g/cm³
• LogP: 2.21910
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 191.094628657
• Heavy Atom Count: 14
• Complexity: 194

Purity/Quality:

99% ^*data from raw suppliers

Phenylpyrrolidine-1-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(C1)C(=O)OC2=CC=CC=C2

Technology Process of 1-Pyrrolidinecarboxylic acid, phenyl ester

There total 11 articles about 1-Pyrrolidinecarboxylic acid, phenyl ester 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: 93.0%

pyrrolidine (123-75-1) + phenyl chloroformate (1885-14-9) → phenyl pyrrolidine-1-carboxylate (55379-71-0)

Guidance literature:

DOI:10.1055/s-2005-923584

Reference yield: 92.0%

phenyl bis(2-bromoethyl)carbamate → phenyl pyrrolidine-1-carboxylate (55379-71-0)

Guidance literature:

With nickel(II) iodide; [2,2]bipyridinyl; zinc; In N,N-dimethyl acetamide; at 25 ℃; for 16h; Schlenk technique; Inert atmosphere;

DOI:10.1021/ol502207z

Reference yield: 92.0%

3-methyl-1-(pyrrolidin-1-ylcarbonyl)-1H-imidazol-3-ium iodide + phenol (108-95-2,27073-41-2) → phenyl pyrrolidine-1-carboxylate (55379-71-0)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 16h;

DOI:10.1016/j.tetlet.2008.06.096

upstream raw materials:

phenyl chloroformate

1-(2-methoxy-benzenesulfonyl)-pyrrolidine

pyrrolidine

o-Methoxybenzenesulfonyl chloride

Downstream raw materials:

3-(N-(phenoxycarbonyl)formamido)propanoic acid

1-phenoxycarbonyl-2-oxopyrrolidine

(2-hydroxy-phenyl)(pyrrolidin-1-yl)methanone

(E)-2-(3-ethoxy-3-oxoprop-1-en-1-yl)phenyl pyrrolidine-1-carboxylate