1-Cyclohexylazetidine-2-carboxylic acid

Base Information

• Chemical Name: 1-Cyclohexylazetidine-2-carboxylic acid
• CAS No.: 18085-39-7
• Molecular Formula: C₁₀H₁₇NO₂
• Molecular Weight: 183.25
• Hs Code.: 2933990090
• NSC Number: 135863
• DSSTox Substance ID: DTXSID60300295
• ChEMBL ID: CHEMBL1449399
• Mol file: 18085-39-7.mol

Synonyms:18085-39-7;1-cyclohexylazetidine-2-carboxylic acid;1-Cyclohexyl-2-azetidinecarboxylic acid;1-Cyclohexyl-azetidine-2-carboxylic acid;NSC 135863;NSC135863;BAS 03220333;MLS000071806;SCHEMBL5080962;CHEMBL1449399;DTXSID60300295;HMS1683L07;HMS2186B16;MFCD03274779;STK502110;1-cyclohexyl-2-azetanecarboxylic acid;AKOS000264933;AKOS016345457;MB02688;NSC-135863;2-Azetidinecarboxylicacid,1-cyclohexyl-;(+/-)-3-HYDROXYPENTADECANOICACID;LS-02473;SMR000012122;CS-0316394;FT-0637645;1-Cyclohexyl-2-azetidinecarboxylic acid, AldrichCPR

Chemical Property of 1-Cyclohexylazetidine-2-carboxylic acid

Chemical Property:

• Vapor Pressure: 0.000136mmHg at 25°C
• Refractive Index: 1.55
• Boiling Point: 310.1 °C at 760 mmHg
• PKA: 2.33±0.20(Predicted)
• Flash Point: 141.4 °C
• PSA: 40.54000
• Density: 1.186 g/cm³
• LogP: 1.41590
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 183.125928785
• Heavy Atom Count: 13
• Complexity: 199

Purity/Quality:

98%min ^*data from raw suppliers

1-cyclohexylazetidine-2-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)N2CCC2C(=O)O

Technology Process of 1-Cyclohexylazetidine-2-carboxylic acid

There total 1 articles about 1-Cyclohexylazetidine-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:

→ 1-cyclohexyl-azetidine-2-carboxylic acid (18085-39-7)

Guidance literature:

2-Carbonsaeurebenzylester 6b, Pd/C, Hydrogenolyse;

Reference yield:

1-cyclohexyl-azetidine-2-carboxylic acid (18085-39-7) → N-cyclohexyl-2-Azetidinone (34094-39-8)

Guidance literature:

With toluene-4-sulfonic acid; lithium diisopropyl amide; Yield given. Multistep reaction; 1.) THF, 0 deg C, 1h, 2.) photooxygenation/ether, -78 deg C, 3.) THF, -78 deg C;

DOI:10.1021/jo00328a001

Reference yield:

1-cyclohexyl-azetidine-2-carboxylic acid (18085-39-7) → N-Cyclohexyl-Δ1-azetinium Perchlorate (77648-12-5)

Guidance literature:

With perchloric acid; oxalyl dichloride; Yield given. Multistep reaction; 1.) 45 deg C, 10 min, 2.) 0 deg C, 10 min;

DOI:10.1021/jo00328a001

Downstream raw materials:

1-cyclohexyl-2-butyrylazetidine

1-cyclohexyl-2-acetylazetidine

1-cyclohexyl-2-benzoylazetidine

N-cyclohexyl-2-Azetidinone