1-Methyl-5-oxopyrrolidine-2-carboxylic acid

Base Information

• Chemical Name: 1-Methyl-5-oxopyrrolidine-2-carboxylic acid
• CAS No.: 72442-37-6
• Molecular Formula: C6H9NO3
• Molecular Weight: 143.142
• European Community (EC) Number: 276-664-2
• Mol file: 72442-37-6.mol

Synonyms:1-METHYL-5-OXOPYRROLIDINE-2-CARBOXYLIC ACID;72442-37-6;1-Methyl-5-oxo-DL-proline;1-methyl-5-oxoproline;MFCD19228297;MFCD26937700;EINECS 276-664-2;N-methyl-L-pyroglutamic acid;SCHEMBL159149;SHLYZEAOVWVTSW-UHFFFAOYSA-N;MFCD15730150;AKOS012169845;MB14791;BS-17473;SY105837;SY260047;CS-0161786;D78920;EN300-132963;1-METHYL-5-OXOPYRROLIDINE-2-CARBOXYLICACID;Z1021465860

Chemical Property of 1-Methyl-5-oxopyrrolidine-2-carboxylic acid

Chemical Property:

• Vapor Pressure: 3.26E-06mmHg at 25°C
• Melting Point: 158 °C
• Boiling Point: 361.7°Cat760mmHg
• PKA: 3.53±0.20(Predicted)
• Flash Point: 172.5°C
• PSA: 57.61000
• Density: 1.319g/cm³
• LogP: -0.37030
• Storage Temp.: 2-8°C
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 143.058243149
• Heavy Atom Count: 10
• Complexity: 178

Purity/Quality:

97% ^*data from raw suppliers

1-methyl-5-oxopyrrolidine-2-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(CCC1=O)C(=O)O

Technology Process of 1-Methyl-5-oxopyrrolidine-2-carboxylic acid

There total 6 articles about 1-Methyl-5-oxopyrrolidine-2-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:

ethyl 1-methyl-5-oxopyrrolidine-2-carboxylate (108645-70-1,177314-35-1) → 1-methyl-5-oxopyrrolidine-2-carboxylic acid (72442-37-6,952345-00-5)

Guidance literature:

ethyl 1-methyl-5-oxopyrrolidine-2-carboxylate; With sodium hydroxide; water; In ethanol; isopropyl alcohol; at 0 ℃; for 4h;

With hydrogenchloride; In water; pH=1; Product distribution / selectivity;

Reference yield:

N,N-dimethyl-(L)-glutamic acid (6312-54-5) → 1,5-pentanedioic acid (110-94-1) + 2-hydroxyglutaric acid (2889-31-8,636-67-9) + 1-methyl-5-oxopyrrolidine-2-carboxylic acid (72442-37-6,952345-00-5)

Guidance literature:

With platinum on carbon; hydrogen; In water; at 200 ℃; for 24h; under 22502.3 Torr; Reagent/catalyst; Green chemistry;

DOI:10.1039/c6gc03222b

Reference yield:

(S)-methyl 1-methyl-5-oxopyrrolidine-2-carboxylate (190783-99-4) → 1-methyl-5-oxopyrrolidine-2-carboxylic acid (72442-37-6,952345-00-5)

Guidance literature:

With sodium hydroxide;

DOI:10.1080/15257770500377789

upstream raw materials:

(S)-methyl 1-methyl-5-oxopyrrolidine-2-carboxylate

N-methyl-L-glutamic acid

ethyl 1-methyl-5-oxopyrrolidine-2-carboxylate

N,N-dimethyl-(L)-glutamic acid

Downstream raw materials:

1-methyl-5-oxoprolyl chloride

5-(4-methoxyphenyl)-1-methylpyrrolidin-2-one

5-(2-Methoxy-phenyl)-1-methyl-pyrrolidin-2-one

1-Methyl-5-p-tolyl-pyrrolidin-2-one