Methyl 4-(chlorocarbonyl)cyclohexane-1-carboxylate

Base Information

• Chemical Name: Methyl 4-(chlorocarbonyl)cyclohexane-1-carboxylate
• CAS No.: 161975-35-5
• Molecular Formula: C9H13ClO3
• Molecular Weight: 204.65072
• DSSTox Substance ID: DTXSID50572207
• Nikkaji Number: J1.797.515C
• Mol file: 161975-35-5.mol

Synonyms:161975-35-5;Methyl 4-(chlorocarbonyl)cyclohexane-1-carboxylate;methyl 4-carbonochloridoylcyclohexane-1-carboxylate;Cyclohexanecarboxylic acid, 4-(chlorocarbonyl)-, methyl ester, cis- (9CI);SCHEMBL107570;SCHEMBL438683;SCHEMBL3293464;SCHEMBL8221268;DTXSID50572207;ZPSRMOPMUQFVJD-LJGSYFOKSA-N;ZPSRMOPMUQFVJD-UHFFFAOYSA-N;trans-1,4-Cyclohexanedicarboxylic acid monomethyl ester chloride;AKOS040804837;4-methoxycarbonylcyclohexylcarbonyl chloride;4-methoxycarbonylcyclohexanecarbonyl chloride;methyl trans-4-(chlorocarbonyl)cyclohexanecarboxylate;trans-methyl 4-(chlorocarbonyl)cyclohexanecarboxylate;methyl (1s,4s)-4-(carboxy)cyclohexane-1-carboxylate;trans-4-chlorocarbonylcyclohexanecarboxylic acid methyl ester

Chemical Property of Methyl 4-(chlorocarbonyl)cyclohexane-1-carboxylate

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 204.0553220
• Heavy Atom Count: 13
• Complexity: 207

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1CCC(CC1)C(=O)Cl

Technology Process of Methyl 4-(chlorocarbonyl)cyclohexane-1-carboxylate

There total 1 articles about Methyl 4-(chlorocarbonyl)cyclohexane-1-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:

(1S,4S)-4-(methoxycarbonyl)cyclohexane-1-carboxylic acid (1011-85-4) → C9H13ClO3 (161975-35-5)

Guidance literature:

With thionyl chloride; at 50 ℃; for 3h;

Reference yield:

C9H13ClO3 (161975-35-5) + 1-(2-methoxyphenyl)-4-(2-(2-pyridylamino)ethyl)piperazine (155204-28-7) → C27H36N4O4 (946530-06-9)

Guidance literature:

Reference yield:

8-amino quinoline (578-66-5) + C9H13ClO3 (161975-35-5) → (cis)-methyl 4-(quinolin-8-ylcarbamoyl)cyclohexane-1-carboxylate

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃;

DOI:10.1021/acs.orglett.1c03952

upstream raw materials:

(1S,4S)-4-(methoxycarbonyl)cyclohexane-1-carboxylic acid

Downstream raw materials:

C₂₇H₃₆N₄O₄

methyl cis-4-(diazoacetyl)cyclohexanecarboxylate

4-{2-[9-(2,4-difluorobenzyl)-5,6,8,9-tetrahydro-7H-pyrido[4',3':4,5]pyrrolo[2,3-b]pyridin-7-yl]-2-oxoethyl}bicyclo[2.2.2]octane-1-carboxylic acid

4-{2-[9-(4-fluorobenzyl)-5,6,8,9-tetrahydro-7H-pyrido[4',3':4,5]pyrrolo[2,3-b]pyridin-7-yl]-2-oxoethyl}bicyclo[2.2.2]octane-1-carboxylic acid

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