(S)-1-Methyl-5-oxopyrrolidine-2-carboxylic acid

Base Information

• Chemical Name: (S)-1-Methyl-5-oxopyrrolidine-2-carboxylic acid
• CAS No.: 52574-06-8
• Molecular Formula: C6H9NO3
• Molecular Weight: 143.142
• European Community (EC) Number: 821-911-7
• DSSTox Substance ID: DTXSID00595365
• Nikkaji Number: J291.362C
• Wikidata: Q82490364
• Mol file: 52574-06-8.mol

Synonyms:52574-06-8;(S)-1-Methyl-5-oxopyrrolidine-2-carboxylic acid;1-Methyl-5-oxo-L-Proline;(2S)-1-methyl-5-oxopyrrolidine-2-carboxylic acid;1-methyl-5-oxoproline;MFCD19228297;N-methyl-5-oxoproline;N-methylpyroglutamic acid;SCHEMBL647325;1-METHYL-5-OXO-PROLINE;DTXSID00595365;SHLYZEAOVWVTSW-BYPYZUCNSA-N;AMY16244;CCA57406;AKOS006380138;DS-9685;DA-31693;DB-211224;DB-301527;CS-0030793;NS00063416;EN300-130825;(S)-1-Methyl-5-oxopyrrolidine-2-carboxylicacid;A870954

Chemical Property of (S)-1-Methyl-5-oxopyrrolidine-2-carboxylic acid

Chemical Property:

• Melting Point: 148-150 °C
• Boiling Point: 361.7±35.0 °C(Predicted)
• PKA: 3.53±0.20(Predicted)
• PSA: 57.61000
• Density: 1.319±0.06 g/cm3(Predicted)
• 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

(S)-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
• Isomeric SMILES: CN1[C@@H](CCC1=O)C(=O)O

Technology Process of (S)-1-Methyl-5-oxopyrrolidine-2-carboxylic acid

There total 16 articles about (S)-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: 96.0%

N-methyl-L-2-oxopyrrolidine-5-carboxylic acid benzyl ester (146963-42-0) → (2S)-1-methyl-5-oxopyrrolidine-2-carboxylic acid (52574-06-8,952345-00-5)

Guidance literature:

With hydrogen; palladium; In methanol;

DOI:10.1021/jo00058a049

Reference yield: 71.0%

tert-butyl (2S)-1-methyl-5-oxopyrrolidine-2-carboxylate (591225-53-5) → (2S)-1-methyl-5-oxopyrrolidine-2-carboxylic acid (52574-06-8,952345-00-5)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 4h;

DOI:10.1016/S0040-4020(03)00420-4

Reference yield:

(S)-methyl 1-methyl-5-oxopyrrolidine-2-carboxylate (42435-88-1) → (2S)-1-methyl-5-oxopyrrolidine-2-carboxylic acid (52574-06-8,952345-00-5)

Guidance literature:

With sodium hydroxide; for 24h; Yield given; Ambient temperature;

upstream raw materials:

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

N-methyl-L-2-oxopyrrolidine-5-carboxylic acid benzyl ester

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

N-methyl-L-glutamic acid

Downstream raw materials:

6-[4-(N-methyl-5-oxo-L-prolyl)amino]phenyl-1,2-dihydro-2-oxonicotinic acid

1-methyl-5-oxoprolyl chloride

C₂₄H₂₃ClF₃N₃O₃

C₁₃H₁₄ClFN₂O₂

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