(6-Chloro-6-methoxycyclohexa-2,4-dien-1-yl)methanol

Base Information

• Chemical Name: (6-Chloro-6-methoxycyclohexa-2,4-dien-1-yl)methanol
• CAS No.: 7035-10-1
• Molecular Formula: C8H10ClO2
• Molecular Weight: 172.611
• Hs Code.: 2909498090
• DSSTox Substance ID: DTXSID60698508
• Mol file: 7035-10-1.mol

Synonyms:2-CHLORO-2-METHOXYBENZYL ALCOHOL;DTXSID60698508;(6-chloro-6-methoxycyclohexa-2,4-dien-1-yl)methanol

Chemical Property of (6-Chloro-6-methoxycyclohexa-2,4-dien-1-yl)methanol

Chemical Property:

• Melting Point: 56-61 °C(lit.)
• PSA: 29.46000
• LogP: 1.30240
• Storage Temp.: 2-8°C
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 174.0447573
• Heavy Atom Count: 11
• Complexity: 189

Purity/Quality:

95% ^*data from raw suppliers

(5-Chloro-2-methoxyphenyl)methanol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1(C=CC=CC1CO)Cl
• Uses: (5-Chloro-2-methoxyphenyl)methanol is used in the synthesis of α- or β-aryl- and γ-aryl-γ-benzyl-γ-butyrolactones.

Technology Process of (6-Chloro-6-methoxycyclohexa-2,4-dien-1-yl)methanol

There total 8 articles about (6-Chloro-6-methoxycyclohexa-2,4-dien-1-yl)methanol 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: 90.0%

5-chloro-2-methoxybenzaldehyde (7035-09-8) → (5-chloro-2-methoxyphenyl)methanol (7035-10-1)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 0 - 20 ℃; for 2h;

Reference yield: 80.0%

4-chloro-2-hydroxymethylphenol (5330-38-1) + methyl iodide (74-88-4) → (5-chloro-2-methoxyphenyl)methanol (7035-10-1)

Guidance literature:

With potassium carbonate; In acetone; at 60 ℃;

Reference yield: 73.5%

methyl 5-chloro-2-methoxybenzoate (33924-48-0) → (5-chloro-2-methoxyphenyl)methanol (7035-10-1)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 ℃; for 2h;

upstream raw materials:

ethyl 5-chloro-2-methoxybenzoate

methyl 5-chloro-2-methoxybenzoate

5-chloro-2-methoxybenzaldehyde

5-chlorosalicyclaldehyde

Downstream raw materials:

4-chloro-2-chloromethyl-1-methoxy-benzene

(5-chloro-2-methoxybenzyl)(triphenyl)phosphonium bromide

(5-chloro-2-methoxy-phenyl)-acetonitrile

2-(5-chloro-2-methoxybenzyloxy)-6-fluorobenzonitrile

Refernces

• 1、 -. "SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS". Paragraph 0612-0613. . Retrieved 2021/12/03.
• 2、 -. "RORγ MODULATORS". . . Retrieved 2018/04/13.