Methyl 1-cyclohexylazetidine-2-carboxylate

Base Information

• Chemical Name: Methyl 1-cyclohexylazetidine-2-carboxylate
• CAS No.: 18085-36-4
• Molecular Formula: C11H19 N O2
• Molecular Weight: 197.277
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID00393388
• Nikkaji Number: J655.684A
• Mol file: 18085-36-4.mol

Synonyms:methyl 1-cyclohexylazetidine-2-carboxylate;18085-36-4;METHYL 1-CYCLOHEXYL-2-AZETIDINECARBOXYLATE;2-Azetidinecarboxylic acid, 1-cyclohexyl-, methyl ester;Enamine_000808;methyl 1-(cyclohexyl)azetidine-2-carboxylate;SCHEMBL15194567;DTXSID00393388;FCZVWSJTPLJYSO-UHFFFAOYSA-N;HMS1396E16;AKOS004115370;methyl1-cyclohexylazetidine-2-carboxylate;EN300-270104;1-Cyclohexylazetidine-2-carboxylic acid methyl ester;Z56781304

Chemical Property of Methyl 1-cyclohexylazetidine-2-carboxylate

Chemical Property:

• PSA: 29.54000
• LogP: 1.50430
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 197.141578849
• Heavy Atom Count: 14
• Complexity: 211

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1CCN1C2CCCCC2

Technology Process of Methyl 1-cyclohexylazetidine-2-carboxylate

There total 1 articles about Methyl 1-cyclohexylazetidine-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: 76.0%

methyl 2,4-dibromobutanoate (29547-04-4,70288-65-2) + cyclohexylamine (108-91-8,157973-60-9) → methyl 1-(cyclohexyl)azetidine-2-carboxylate (18085-36-4)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In acetonitrile; at 20 ℃; for 48h;

Reference yield: 100.0%

methyl 1-(cyclohexyl)azetidine-2-carboxylate (18085-36-4) → lithium 1-(cyclohexyl)azetidine-2-carboxylate (1450977-88-4)

Guidance literature:

With lithium hydroxide monohydrate; In tetrahydrofuran; methanol; water; at 20 ℃;

Reference yield: 88.0%

bis-(4-chloro-phenyl)-carbodiimide (838-98-2) + methyl 1-(cyclohexyl)azetidine-2-carboxylate (18085-36-4) → 3-(4-Chloro-phenyl)-2-[(E)-4-chloro-phenylimino]-1-cyclohexyl-hexahydro-pyrimidine-4-carboxylic acid methyl ester

Guidance literature:

bis(benzonitrile)palladium(II) dichloride; In toluene; for 48h; under 258.6 Torr; Heating;

DOI:10.1021/jo00106a043

upstream raw materials:

methyl 2,4-dibromobutanoate

cyclohexylamine

Downstream raw materials:

N-cyclohexyl-2-Azetidinone

lithium 1-(cyclohexyl)azetidine-2-carboxylate

Refernces

• 1、 -. "NOVEL PYRROLIDINE DERIVATIVES". Page/Page column 29. . Retrieved 2013/08/28.