1-(6-Chlorophenyl-2,3,4,5-d4)-cyclohexanol

Base Information

• Chemical Name: 1-(6-Chlorophenyl-2,3,4,5-d4)-cyclohexanol
• CAS No.: 1336986-05-0
• Molecular Formula: C12H11ClD4O
• Molecular Weight: 214.672
• Mol file: 1336986-05-0.mol

Synonyms:1-(6-Chlorophenyl-2,3,4,5-d4)-cyclohexanol;2-Hydroxy-2-(o-chlorophenyl-d4)cyclohexanol

Chemical Property of 1-(6-Chlorophenyl-2,3,4,5-d4)-cyclohexanol

Chemical Property:

• PSA: 20.23000
• LogP: 3.49170
• Solubility.: Methanol

Purity/Quality:

2-Hydroxy-2-(o-chlorophenyl-d4)cyclohexanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 1-(6-Chlorophenyl-2,3,4,5-d4)-cyclohexanol is used in the preparation of a labeled ketamine metabolites.

Technology Process of 1-(6-Chlorophenyl-2,3,4,5-d4)-cyclohexanol

There total 1 articles about 1-(6-Chlorophenyl-2,3,4,5-d4)-cyclohexanol 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: 75.0%

o-bromochlorobenzene-d4 (1219795-51-3) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → 1-(2-[2H4]-chlorophenyl)cyclohexanol (1336986-05-0)

Guidance literature:

o-bromochlorobenzene-d4; With iodine; magnesium; In tetrahydrofuran; at 10 - 15 ℃; for 0.5h;

cyclohexanone; In tetrahydrofuran; at 0 - 25 ℃; for 16h;

DOI:10.1016/j.bmcl.2011.08.021

Reference yield: 95.0%

1-(2-[2H4]-chlorophenyl)cyclohexanol (1336986-05-0) → 1-(2-[2H4]-chlorophenyl)cyclohexene (1336986-06-1)

Guidance literature:

With toluene-4-sulfonic acid; In benzene; for 3h; Reflux;

DOI:10.1016/j.bmcl.2011.08.021

Reference yield:

1-(2-[2H4]-chlorophenyl)cyclohexanol (1336986-05-0) → C12H10(2)H4BrClO

Guidance literature:

Multi-step reaction with 3 steps

1: toluene-4-sulfonic acid / benzene / 3 h / Reflux

2: sodium hydrogencarbonate; 3-chloro-benzenecarboperoxoic acid / dichloromethane / 0 - 25 °C

3: water; hydrogen bromide / chloroform / 0.5 h / 20 °C

With water; hydrogen bromide; sodium hydrogencarbonate; toluene-4-sulfonic acid; 3-chloro-benzenecarboperoxoic acid; In dichloromethane; chloroform; benzene;

DOI:10.1016/j.bmcl.2011.08.021

upstream raw materials:

o-bromochlorobenzene-d4

cyclohexanone

Downstream raw materials:

1-(2-[2H₄]-chlorophenyl)cyclohexene

1-(2-[2H₄]-chlorophenyl)-7-oxabicyclo[4.1.0]heptane

2-bromo-2-(2-[2H₄]-chlorophenyl)cyclohexanone

2-azido-2-(2-[2H₄]-chlorophenyl)cyclohexanone

Refernces