Methyl azetidine-2-carboxylate

Base Information

• Chemical Name: Methyl azetidine-2-carboxylate
• CAS No.: 134419-57-1
• Molecular Formula: C5H9NO2
• Molecular Weight: 115.132
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID90531752
• Nikkaji Number: J795.563D
• Mol file: 134419-57-1.mol

Synonyms:methyl azetidine-2-carboxylate;134419-57-1;Azetidine-2-carboxylic acid methyl ester;METHYL 2-AZETIDINECARBOXYLATE;2-Azetidinecarboxylic acid, methyl ester;methylazetidine-2-carboxylate;methyl 2-azetidine-carboxylate;SCHEMBL2065284;DTXSID90531752;MFCD06658473;AKOS006277411;MB03946;SB44817;SB45684;EN300-220838;AZetidine-2-carboxylic acid methyl ester (H-DL-AZe-OMe);4-{[(4-Methoxy-benzoyl)-(4-methyl-benzyl)-amino]-methyl}-3-nitro-benzoicacid

Chemical Property of Methyl azetidine-2-carboxylate

Chemical Property:

• Vapor Pressure: 5.038mmHg at 25°C
• Refractive Index: 1.45
• Boiling Point: 144.666 °C at 760 mmHg
• PKA: 9.08±0.40(Predicted)
• Flash Point: 41.293 °C
• PSA: 38.33000
• Density: 1.1 g/cm³
• LogP: -0.14990
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 115.063328530
• Heavy Atom Count: 8
• Complexity: 103

Purity/Quality:

97% ^*data from raw suppliers

Azetidine-2-carboxylicacidmethylester 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1CCN1

Technology Process of Methyl azetidine-2-carboxylate

There total 3 articles about Methyl azetidine-2-carboxylate 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:

methanol (67-56-1) + Azetidine-2-carboxylic acid (2517-04-6,20063-89-2) → (2S)-methyl azetidine-2-carboxylate (134419-57-1)

Guidance literature:

With thionyl chloride; for 24h; Ambient temperature;

Reference yield:

→ (2S)-methyl azetidine-2-carboxylate (134419-57-1)

Guidance literature:

freie Saeure 4, 1.) SOCl2/Me., 2.) Et3N;

Reference yield:

methyl 1-benzyl-2-azetidinecarboxylate (18085-37-5) → (2S)-methyl azetidine-2-carboxylate (134419-57-1)

Guidance literature:

With ammonium formate; palladium on activated charcoal; In methanol; for 0.75h; Heating;

DOI:10.1021/ol050915o

upstream raw materials:

methanol

Azetidine-2-carboxylic acid

methyl 1-benzyl-2-azetidinecarboxylate

Downstream raw materials:

azetidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester

2-Allyl-1-(2-bromo-benzoyl)-azetidine-2-carboxylic acid methyl ester

1-(2-Bromo-benzoyl)-azetidine-2-carboxylic acid methyl ester

methyl 1-cyano-2-azetidinecarboxylate