(4-Bromo-3-chlorophenyl)methanol

Base Information

• Chemical Name: (4-Bromo-3-chlorophenyl)methanol
• CAS No.: 120077-68-1
• Molecular Formula: C₇H₆BrClO
• Molecular Weight: 221.481
• Hs Code.: 2906290090
• European Community (EC) Number: 869-555-1
• Mol file: 120077-68-1.mol

Synonyms:120077-68-1;(4-bromo-3-chlorophenyl)methanol;4-Bromo-3-chlorobenzyl alcohol;(4-BROMO-3-CHLORO-PHENYL)-METHANOL;MFCD08059111;Benzenemethanol, 4-bromo-3-chloro-;SCHEMBL2522185;QXKNNVRGECWRKK-UHFFFAOYSA-N;AKOS017558913;AS-36344;SY030332;CS-0157086;EN300-157209;A920129;Z1269181450

Chemical Property of (4-Bromo-3-chlorophenyl)methanol

Chemical Property:

• PSA: 0.00000
• LogP: 0.00000
• Storage Temp.: 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 219.92906
• Heavy Atom Count: 10
• Complexity: 110

Purity/Quality:

98%min ^*data from raw suppliers

(4-Bromo-3-chlorophenyl)methanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C=C1CO)Cl)Br

Technology Process of (4-Bromo-3-chlorophenyl)methanol

There total 3 articles about (4-Bromo-3-chlorophenyl)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: 99.0%

4-bromo-3-chlorobenzoic acid (25118-59-6) → (4-bromo-3-chlorophenyl)methanol (120077-68-1)

Guidance literature:

With borane-THF; In tetrahydrofuran; at 0 - 20 ℃; for 2h; Inert atmosphere;

Reference yield: 72.0%

4-bromo-3-chlorobenzoic acid ethyl ester (120077-67-0) → (4-bromo-3-chlorophenyl)methanol (120077-68-1)

Guidance literature:

4-bromo-3-chlorobenzoic acid ethyl ester; With lithium aluminium tetrahydride; In tetrahydrofuran; at -15 - 0 ℃; for 2h; Inert atmosphere;

With water; ammonium chloride; In tetrahydrofuran;

Reference yield:

diisobutylaluminum hydride + 4-bromo-3-chlorobenzoic acid ethyl ester (120077-67-0) → (4-bromo-3-chlorophenyl)methanol (120077-68-1)

Guidance literature:

With ammonium chloride; In dichloromethane; toluene;

upstream raw materials:

4-bromo-3-chlorobenzoic acid ethyl ester

4-bromo-3-chlorobenzoic acid

Downstream raw materials:

tert-butyl((3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)oxy)dimethylsilane

((4-bromo-3-chlorobenzyl)oxy)(tert-butyl)dimethylsilane

Refernces

• 1、 -. "MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS". Paragraph 00694. . Retrieved 2017/08/01.
• 2、 -. "Modulators of methyl modifying enzymes, compositions and uses thereof". Page/Page column 194; 195. . Retrieved 2015/12/26.