1-Butyl-5-oxopyrrolidine-3-carboxylic acid

Base Information

• Chemical Name: 1-Butyl-5-oxopyrrolidine-3-carboxylic acid
• CAS No.: 43094-86-6
• Molecular Formula: C9H15NO3
• Molecular Weight: 185.223
• Hs Code.: 2933790090
• European Community (EC) Number: 256-084-6
• DSSTox Substance ID: DTXSID10962887
• Nikkaji Number: J319.894D
• Mol file: 43094-86-6.mol

Synonyms:1-Butyl-5-oxopyrrolidine-3-carboxylic acid;43094-86-6;1-butyl-5-oxo-3-pyrrolidinecarboxylic acid;EINECS 256-084-6;1-Butyl-5-oxo-pyrrolidine-3-carboxylic acid;SCHEMBL2892450;DTXSID10962887;BBL002407;MFCD04989720;STK288068;AKOS000152219;AKOS016040990;4-Pyridin-2-yl-thiazole-2-carboxylicacid;VS-01066;1-Butyl-5-oxopyrrolidine-3-carboxylicacid;BB 0239313;1-Butyl-5-oxo-3-pyrrolidinecarboxylic acid, AldrichCPR

Chemical Property of 1-Butyl-5-oxopyrrolidine-3-carboxylic acid

Chemical Property:

• Vapor Pressure: 1.12E-06mmHg at 25°C
• Boiling Point: 375.6°C at 760 mmHg
• Flash Point: 180.9°C
• PSA: 57.61000
• Density: 1.164g/cm³
• LogP: 0.65750
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 185.10519334
• Heavy Atom Count: 13
• Complexity: 215

Purity/Quality:

98%min ^*data from raw suppliers

1-butyl-5-oxopyrrolidine-3-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCN1CC(CC1=O)C(=O)O

Technology Process of 1-Butyl-5-oxopyrrolidine-3-carboxylic acid

There total 2 articles about 1-Butyl-5-oxopyrrolidine-3-carboxylic acid 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%

methyl 1-(1-butyl)-5-oxo-3-pyrrolidinecarboxylate (59857-87-3) → 1-butyl-5-oxopyrrolidine-3-carboxylic acid (43094-86-6)

Guidance literature:

methyl 1-(1-butyl)-5-oxo-3-pyrrolidinecarboxylate; With methanol; lithium hydroxide; water; at 20 ℃; for 4h;

With hydrogenchloride; water; pH=2 - 3;

Reference yield: 67.0%

2-methylenesuccinic acid (97-65-4,25119-64-6) + N-butylamine (109-73-9,85404-21-3) → 1-butyl-5-oxopyrrolidine-3-carboxylic acid (43094-86-6)

Guidance literature:

DOI:10.1248/cpb.52.63

Reference yield: 95.0%

C25H33F2N3O3 (845546-59-0) + 1-butyl-5-oxopyrrolidine-3-carboxylic acid (43094-86-6) → C34H46F2N4O5

Guidance literature:

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In dichloromethane; at 20 ℃; for 16h;

upstream raw materials:

2-methylenesuccinic acid

N-butylamine

methyl 1-(1-butyl)-5-oxo-3-pyrrolidinecarboxylate

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