1-Methylpyrrolidine-2-carboxylic acid

Base Information

• Chemical Name: 1-Methylpyrrolidine-2-carboxylic acid
• CAS No.: 68078-09-1
• Molecular Formula: C6H11NO2
• Molecular Weight: 129.159
• Hs Code.: 2933990090
• European Community (EC) Number: 836-213-8
• NSC Number: 45492
• DSSTox Substance ID: DTXSID10274275
• Nikkaji Number: J923.108K
• Wikidata: Q3596761
• Mol file: 68078-09-1.mol

Synonyms:N-methylproline;N-methylpyrrolidine-2-carboxylate;N-methylpyrrolidine-2-carboxylic acid

Chemical Property of 1-Methylpyrrolidine-2-carboxylic acid

Chemical Property:

• Melting Point: 116 °C
• Boiling Point: 227.1 °C at 760 mmHg
• PKA: 2.37±0.20(Predicted)
• Flash Point: 91.1 °C
• PSA: 40.54000
• Density: 1.153 g/cm³
• LogP: 0.10310
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: -1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 129.078978594
• Heavy Atom Count: 9
• Complexity: 124

Purity/Quality:

99%, ^*data from raw suppliers

1-Methyl-DL-proline 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCCC1C(=O)O

Technology Process of 1-Methylpyrrolidine-2-carboxylic acid

There total 18 articles about 1-Methylpyrrolidine-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: 98.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + L-proline (147-85-3,25191-13-3,37159-97-0,4305-67-3,4607-28-7) → N-methyl-L-proline (475-11-6,58123-62-9,68078-09-1)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; water;

DOI:10.1021/jo026722l

Reference yield: 98.0%

C6H9NO2 → N-methyl-L-proline (475-11-6,58123-62-9,68078-09-1)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In methanol; water;

Reference yield: 96.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + D-Prolin (344-25-2,25191-13-3,37159-97-0,4305-67-3,4607-28-7) → N-methyl-D-proline (475-11-6,58123-62-9,68078-09-1)

Guidance literature:

formaldehyd; D-Prolin;

With hydrogen;

DOI:10.1248/cpb.49.629

upstream raw materials:

glycerol

1-Methylpyrrolidine

carbon dioxide

formaldehyd

Downstream raw materials:

1-methyl-DL-prolin-ethyl ester

(R)-N-methylpyrrolidine-2-methanol

(S)-2-hydroxymethyl-1-methylpyrrolidine

C₃₄H₄₆N₆O₆S

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