Methyl 3-cyclohexyl-2-iodoprop-2-enoate

Base Information

• Chemical Name: Methyl 3-cyclohexyl-2-iodoprop-2-enoate
• CAS No.: 126628-75-9
• Molecular Formula: C10H15IO2
• Molecular Weight: 294.132
• DSSTox Substance ID: DTXSID60709961
• Mol file: 126628-75-9.mol

Synonyms:methyl 3-cyclohexyl-2-iodoprop-2-enoate;126628-75-9;DTXSID60709961

Chemical Property of Methyl 3-cyclohexyl-2-iodoprop-2-enoate

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 294.01168
• Heavy Atom Count: 13
• Complexity: 205

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(=CC1CCCCC1)I

Technology Process of Methyl 3-cyclohexyl-2-iodoprop-2-enoate

There total 3 articles about Methyl 3-cyclohexyl-2-iodoprop-2-enoate 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%

Cyclohexyl iodide (626-62-0) + propynoic acid methyl ester (922-67-8) → (E)-3-cyclohexyl-2-iodo-acrylic acid methyl ester (126628-75-9)

Guidance literature:

With chloro-trimethyl-silane; iodine; copper(l) cyanide; lithium chloride; zinc; In tetrahydrofuran; at -70 - 45 ℃; for 23.75h;

Reference yield: 99.0%

Cyclohexyl iodide (626-62-0) + ammonium chloride + ethylene dibromide (106-93-4) + propynoic acid methyl ester (922-67-8) → (E)-3-cyclohexyl-2-iodo-acrylic acid methyl ester (126628-75-9)

Guidance literature:

With ammonium hydroxide; chloro-trimethyl-silane; iodine; lithium chloride; zinc; In tetrahydrofuran;

Reference yield:

[(methoxycarbonyl)methyl]triphenylarsonium bromide (1529-78-8) + cyclohexanecarbaldehyde (2043-61-0) → (E)-3-cyclohexyl-2-iodo-acrylic acid methyl ester (126628-75-9) + methyl 3-cyclohexyl-2-iodo-2-propenate (126628-67-9)

Guidance literature:

With iodine; potassium carbonate; Yield given. Multistep reaction. Yields of byproduct given. Title compound not separated from byproducts; 1.) MeCN, 10 deg C, 8 h, 2.) MeCN-H₂O, 25 deg C, 25 h;

upstream raw materials:

[(methoxycarbonyl)methyl]triphenylarsonium bromide

cyclohexanecarbaldehyde

Cyclohexyl iodide

propynoic acid methyl ester

Downstream raw materials:

(E)-2-[3-chloro-4-(5-trifluoromethyl-tetrazol-1-yl)-phenyl]-3-cyclohexyl-acrylic acid methyl ester

(E)-2-[3-chloro-4-(5-methyl-tetrazol-1-yl)-phenyl]-3-cyclohexyl-acrylic acid methyl ester