Methyl 6-(chlorocarbonyl)cyclohex-3-ene-1-carboxylate

Base Information

• Chemical Name: Methyl 6-(chlorocarbonyl)cyclohex-3-ene-1-carboxylate
• CAS No.: 91179-09-8
• Molecular Formula: C₉H₁₁ClO₃
• Molecular Weight: 202.638
• DSSTox Substance ID: DTXSID60518191
• Mol file: 91179-09-8.mol

Synonyms:91179-09-8;Methyl 6-(chlorocarbonyl)cyclohex-3-ene-1-carboxylate;DTXSID60518191

Chemical Property of Methyl 6-(chlorocarbonyl)cyclohex-3-ene-1-carboxylate

Chemical Property:

• PSA: 43.37000
• LogP: 1.50720
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 202.0396719
• Heavy Atom Count: 13
• Complexity: 247

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1CC=CCC1C(=O)Cl

Technology Process of Methyl 6-(chlorocarbonyl)cyclohex-3-ene-1-carboxylate

There total 8 articles about Methyl 6-(chlorocarbonyl)cyclohex-3-ene-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: 99.0%

(1R,6S)-6-methoxycarbonyl-3-cyclohexene-1-carboxylic acid (31139-02-3,31139-03-4,56124-48-2,88335-93-7,88335-94-8,93603-11-3) → (1S-cis)-6-Chlorcarbonyl-3-cyclohexen-1-carbonsaeure-methylester (19914-76-2,35033-75-1,91179-09-8,93531-06-7,104265-86-3,104265-87-4,104265-89-6)

Guidance literature:

With Chloro-oxo-acetic acid; In dichloromethane; for 3h; Ambient temperature;

Reference yield:

6-(methoxycarbonyl)cyclohex-3-enecarboxylic acid → (1S-cis)-6-Chlorcarbonyl-3-cyclohexen-1-carbonsaeure-methylester (19914-76-2,35033-75-1,91179-09-8,93531-06-7,104265-86-3,104265-87-4,104265-89-6) + (1R-cis)-6-Chlorcarbonyl-3-cyclohexen-1-carbonsaeure-methylester (104265-86-3)

Guidance literature:

With thionyl chloride; In toluene; at 0 ℃; for 0.5h;

DOI:10.3762/bjoc.14.19

Reference yield:

(1S,2R)-2-formyl-1-methoxycarbonylcyclohex-4-ene (146388-94-5) → (1S-cis)-6-Chlorcarbonyl-3-cyclohexen-1-carbonsaeure-methylester (19914-76-2,35033-75-1,91179-09-8,93531-06-7,104265-86-3,104265-87-4,104265-89-6)

Guidance literature:

With ammonium chloride; In methanol;

upstream raw materials:

(1R,6S)-6-methoxycarbonyl-3-cyclohexene-1-carboxylic acid

cis-1,2,3,6-tetrahydrophthalic anhydride

dimethyl cis-1,2,3,6-tetrahydrophthalate

1-methyl hydrogen 1,2-cis-1,2-cyclohex-4-ene dicarboxylate

Downstream raw materials:

(3aR,7aS)-1,3,3a,4,7,7a-hexahydroisobenzofuran-1-one

(1S,2R)-2-Formyl-cyclohexanecarboxylic acid methyl ester

methyl (1R,3R)-3-(tert-butyldimethylsilyloxy)cyclohex-4-ene-1-carboxylate

methyl (1R,3R,4R,5S)-3-(tert-butyldimethylsilyloxy)-4-hydroxy-5-methylcyclohexane-1-carboxylate

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