2-Butenoicacid,4-cyclohexyl-3-fluoro-,methylester,(2Z)-(9CI)

Base Information

• Chemical Name: 2-Butenoicacid,4-cyclohexyl-3-fluoro-,methylester,(2Z)-(9CI)
• CAS No.: 769133-36-0
• Molecular Formula: C₁₁H₁₇FO₂
• Molecular Weight: 200.253
• Mol file: 769133-36-0.mol

Synonyms:2-Butenoicacid,4-cyclohexyl-3-fluoro-,methylester,(2Z)-(9CI)

Chemical Property of 2-Butenoicacid,4-cyclohexyl-3-fluoro-,methylester,(2Z)-(9CI)

Chemical Property:

• Boiling Point: 255.9±15.0 °C(Predicted)
• PSA: 26.30000
• Density: 1.022±0.06 g/cm3(Predicted)
• LogP: 2.98320

Purity/Quality:

99%+ ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 2-Butenoicacid,4-cyclohexyl-3-fluoro-,methylester,(2Z)-(9CI)

There total 3 articles about 2-Butenoicacid,4-cyclohexyl-3-fluoro-,methylester,(2Z)-(9CI) 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: 70.0%

methanol (67-56-1) + carbon monoxide (201230-82-2) + (Z)-(3-cyclohexyl-2-fluoroprop-1-enyl)(phenyl)iodonium tetrafluoroborate → methyl (Z)-4-cyclohexyl-3-fluoro-2-propenoate (769133-36-0)

Guidance literature:

With sodium hydrogencarbonate; palladium dichloride; at 20 ℃; for 2h;

DOI:10.1016/j.jfluchem.2003.11.025

Reference yield: 57.0%

methanol (67-56-1) + carbon monoxide (201230-82-2) + C16H21F2I (1026924-57-1) → (E)-4-Cyclohexyl-3-fluoro-but-2-enoic acid methyl ester (769133-36-0)

Guidance literature:

With triethylamine; palladium dichloride; at 20 ℃; for 20h; under 760 Torr;

DOI:10.1016/S0040-4039(99)01626-3

Reference yield:

prop-2-ynylcyclohexane (17715-00-3) → (E)-4-Cyclohexyl-3-fluoro-but-2-enoic acid methyl ester (769133-36-0)

Guidance literature:

Multi-step reaction with 2 steps

1: CH₂Cl₂; various solvent(s) / 2 h / 0 °C

2: 57 percent / Et₃N / PdCl₂ / 20 h / 20 °C / 760 Torr

With triethylamine; palladium dichloride; In dichloromethane; 1: Addition / 2: Carbonylation;

DOI:10.1016/S0040-4039(99)01626-3

upstream raw materials:

methanol

carbon monoxide

C₁₆H₂₁F₂I

prop-2-ynylcyclohexane