Methyl 2-((1s,4s)-4-(4-hydroxyphenyl)cyclohexyl)acetate

Base Information

• Chemical Name: Methyl 2-((1s,4s)-4-(4-hydroxyphenyl)cyclohexyl)acetate
• CAS No.: 701232-67-9
• Molecular Formula: C15H20O3
• Molecular Weight: 248.322
• Mol file: 701232-67-9.mol

Synonyms:Methyl 2-((1s,4s)-4-(4-hydroxyphenyl)cyclohexyl)acetate;Cyclohexaneacetic acid, 4-(4-hydroxyphenyl)-, Methyl ester, trans-

Chemical Property of Methyl 2-((1s,4s)-4-(4-hydroxyphenyl)cyclohexyl)acetate

Chemical Property:

• Boiling Point: 373.6±25.0 °C(Predicted)
• PKA: 10.21±0.30(Predicted)
• PSA: 46.53000
• Density: 1.095±0.06 g/cm3(Predicted)
• LogP: 3.22910

Purity/Quality:

HPLC>98% ^*data from raw suppliers

Cyclohexaneacetic acid 4-(4-hydroxyphenyl)-methyl ester95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Methyl 2-((1s,4s)-4-(4-hydroxyphenyl)cyclohexyl)acetate

There total 4 articles about Methyl 2-((1s,4s)-4-(4-hydroxyphenyl)cyclohexyl)acetate 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: 96.0%

diethoxyphosphoryl-acetic acid ethyl ester (867-13-0) + 4-(4-hydroxyphenyl)cyclohexan-1-one (105640-07-1) → trans-[4-(4-hydroxyphenyl)cyclohexyl]acetic methyl ester (701232-67-9)

Guidance literature:

With sodium hydride; In tetrahydrofuran; mineral oil; at 0 - 20 ℃; for 0.75h; Inert atmosphere;

DOI:10.1021/jm500135c

Reference yield: 57.0%

[4-(4-hydroxyphenyl)cyclohexylidene]acetic acid methyl ester (701232-66-8) → trans-[4-(4-hydroxyphenyl)cyclohexyl]acetic methyl ester (701232-67-9)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethyl acetate; for 20h;

DOI:10.1021/jm500135c

Reference yield: 42.4%

methyl 2-(4-(4-hydroxyphenyl)cyclohexyl)acetate (1245708-05-7) → trans-[4-(4-hydroxyphenyl)cyclohexyl]acetic methyl ester (701232-67-9) + methyl 2-((1s,4s)-4-(4-hydroxyphenyl)cyclohexyl)acetate (1245708-07-9)

Guidance literature:

In ethyl acetate; Heating;

DOI:10.1021/ml400527n

upstream raw materials:

[4-(4-hydroxyphenyl)cyclohexylidene]acetic acid methyl ester

4-(4-hydroxyphenyl)cyclohexan-1-one

diethoxyphosphoryl-acetic acid ethyl ester

methyl 2-(4-(4-hydroxyphenyl)cyclohexyl)acetate

Downstream raw materials:

(trans)-methyl 2-(4-(4-(((trifluoromethyl)sulfonyl)oxy)phenyl)cyclohexyl)acetate

4-((1r,4r)-4-(2-hydroxyethyl)cyclohexyl)phenol

methyl (trans-4-{4-[(2-{[tert-butyl(dimethyl)silyl]oxy}ethyl)amino]phenyl}cyclohexyl)acetate

methyl (trans-4-{4-[(2-{[tert-butyl(dimethyl)silyl]oxy}ethyl){[4,6-dichloro-2-(methylsulfanyl)-pyrimidin-5-yl]carbonyl}amino]phenyl}cyclohexyl)acetate

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