2-Pyrrolidinecarbonyl chloride, 5-oxo-

Base Information

• Chemical Name: 2-Pyrrolidinecarbonyl chloride, 5-oxo-
• CAS No.: 55478-53-0
• Molecular Formula: C5H6ClNO2
• Molecular Weight: 147.561
• Hs Code.: 2924297099
• DSSTox Substance ID: DTXSID50495306
• Mol file: 55478-53-0.mol

Synonyms:55478-53-0;2-PYRROLIDINECARBONYL CHLORIDE, 5-OXO-;5-Oxo-2-pyrrolidinecarbonyl chloride;5-OXOPYRROLIDINE-2-CARBONYL CHLORIDE;2-Pyrrolidinecarbonyl chloride, 5-oxo- (9CI);5-Oxoprolyl chloride;5-oxo-2-pyrrolidine carboxylic acid chloride;SCHEMBL1908546;DTXSID50495306;2-pyrrolidone-5-carbonyl chloride;RMHPSSGICDJKDR-UHFFFAOYSA-N;MFCD11938896;AKOS006346845;(2S)-5-oxopyrrolidine-2-carbonyl Chloride

Chemical Property of 2-Pyrrolidinecarbonyl chloride, 5-oxo-

Chemical Property:

• Melting Point: 71-74 °C (decomp)
• Boiling Point: 82 °C(Press: 11 Torr)
• PKA: 14.33±0.40(Predicted)
• PSA: 49.66000
• Density: 1.374±0.06 g/cm3(Predicted)
• LogP: 0.30630
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 147.0087061
• Heavy Atom Count: 9
• Complexity: 157

Purity/Quality:

99%min ^*data from raw suppliers

5-Oxo-2-pyrrolidinecarbonyl chloride 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=O)NC1C(=O)Cl

Technology Process of 2-Pyrrolidinecarbonyl chloride, 5-oxo-

There total 3 articles about 2-Pyrrolidinecarbonyl chloride, 5-oxo- 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: 100.0%

L-Pyroglutamic acid (98-79-3) → pyroglutamoyl chloride (55478-53-0)

Guidance literature:

L-Pyroglutamic acid; With 1,1,1,3,3,3-hexamethyl-disilazane; saccharin; for 2.5h; Heating / reflux;

With oxalyl dichloride; In dichloromethane; at 20 ℃; Heating / reflux;

Reference yield:

Pyroglutamic acid (149-87-1) → pyroglutamoyl chloride (55478-53-0)

Guidance literature:

With phosphorus pentachloride; acetyl chloride;

Reference yield:

→ pyroglutamoyl chloride (55478-53-0)

Guidance literature:

entspr. Saeure, Thionylchlorid;

upstream raw materials:

Pyroglutamic acid

L-Pyroglutamic acid

Downstream raw materials:

methyl 5-oxopyrrolidine-2-carboxylate

5-oxo-pyrrolidine-2-carboxylic acid amide

Pyroglutamic acid

5-benzoyl-2-pyrrolidinone

Refernces

• 1、 -. "Amino acid adducts for percutaneous delivery of vitamin B3". Page/Page column 4. . Retrieved 2008/06/13.