Methyl azetidine-3-carboxylate

Base Information

• Chemical Name: Methyl azetidine-3-carboxylate
• CAS No.: 343238-58-4
• Molecular Formula: C5H9NO2
• Molecular Weight: 115.132
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID20602803
• Wikidata: Q72487616
• Mol file: 343238-58-4.mol

Synonyms:Methyl azetidine-3-carboxylate;343238-58-4;AZETIDINE-3-CARBOXYLIC ACID METHYL ESTER;methylazetidine-3-carboxylate;3-Azetidinecarboxylic acid, methyl ester;methyl 3-azetidinecarboxylate;SCHEMBL1161371;AMY4957;DTXSID20602803;WGEYNHXHVVYOSK-UHFFFAOYSA-N;MFCD07787254;AKOS005264661;CS-13009;SY033073;1-Methyl-azetidine-3-carboxylic acid anion;A6044;CS-0183745;EN300-247509;3-azetidinecarboxylic acid methyl ester, AldrichCPR

Chemical Property of Methyl azetidine-3-carboxylate

Chemical Property:

• Vapor Pressure: 5.04mmHg at 25°C
• Refractive Index: 1.45
• Boiling Point: 144.7 °C at 760 mmHg
• PKA: 9.57±0.40(Predicted)
• Flash Point: 41.3 °C
• PSA: 38.33000
• Density: 1.1 g/cm³
• LogP: -0.29240
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 115.063328530
• Heavy Atom Count: 8
• Complexity: 98.6

Purity/Quality:

97% ^*data from raw suppliers

methylazetidine-3-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1CNC1

Technology Process of Methyl azetidine-3-carboxylate

There total 1 articles about Methyl azetidine-3-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: 100.0%

methanol (67-56-1) + 3-azetidinecarboxylic acid (36476-78-5) → methyl azetidine-3-carboxylate (343238-58-4)

Guidance literature:

With thionyl chloride; at 0 - 20 ℃; for 10h;

Reference yield: 96.8%

benzoyl chloride (98-88-4) + methyl azetidine-3-carboxylate (343238-58-4) → methyl 1-benzoyl azetidine-3-carboxylate

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃;

Reference yield: 65.0%

1-(6-((trans)-4-tert-butylcyclohexyloxy)quinolin-2-yl)ethanone (1266119-14-5) + methyl azetidine-3-carboxylate (343238-58-4) → methyl 1-(1-(6-((trans)-4-tert-butylcyclohexyloxy)quinolin-2-yl)ethyl)azetidine-3-carboxylate (1266119-18-9)

Guidance literature:

1-(6-((trans)-4-tert-butylcyclohexyloxy)quinolin-2-yl)ethanone; methyl azetidine-3-carboxylate; In ethanol; for 2h; Reflux;

With ethanol; sodium cyanoborohydride; at 20 ℃; for 1h; Reflux;

upstream raw materials:

methanol

3-azetidinecarboxylic acid

Downstream raw materials:

1-((S)-3-{4-[5-(2-diethylamino-6-methyl-pyridin-4-yl)-[1,2,4]oxadiazol-3-yl]-2-ethyl-6-methyl-phenoxy}-2-hydroxy-propyl)-azetidine-3-carboxylic acid methyl ester

C₂₈H₃₈N₆O₅

methyl 1-{[3-(2-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-5-pyrimidinyl)-2-ethylphenyl]methyl}-3-azetidinecarboxylate

methyl 1-(3-bromo-2-ethylbenzyl)azetidine-3-carboxylate