3-Chloro-4-fluorobenzyl alcohol

Base Information

• Chemical Name: 3-Chloro-4-fluorobenzyl alcohol
• CAS No.: 161446-90-8
• Molecular Formula: C7H6ClFO
• Molecular Weight: 160.575
• Hs Code.: 2906299090
• European Community (EC) Number: 642-649-8
• DSSTox Substance ID: DTXSID50378589
• Wikidata: Q72450659
• Mol file: 161446-90-8.mol

Synonyms:3-Chloro-4-fluorobenzyl alcohol;161446-90-8;(3-chloro-4-fluorophenyl)methanol;Benzenemethanol, 3-chloro-4-fluoro-;3-chloro-4-fluorobenzylalcohol;3-Chloro-4-fluorobenzyla alcohol;MFCD01631550;Benzenemethanol,3-chloro-4-fluoro-;(3-chloro-4-fluoro-phenyl)-methanol;SCHEMBL2195620;4-fluoro-3-chlorobenzenemethanol;DTXSID50378589;KRQHBUXUXOPOON-UHFFFAOYSA-N;CK1126;AKOS005257763;CS-W014328;PS-8773;AC-26176;SY032303;FT-0615390;EN300-313201

Chemical Property of 3-Chloro-4-fluorobenzyl alcohol

Chemical Property:

• Vapor Pressure: 0.0183mmHg at 25°C
• Refractive Index: 1.5355
• Boiling Point: 242.5 °C at 760 mmHg
• PKA: 13?+-.0.10(Predicted)
• Flash Point: 100.4 °C
• PSA: 20.23000
• Density: 1.344 g/cm³
• LogP: 1.97140
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Slightly soluble in water.
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 160.0091207
• Heavy Atom Count: 10
• Complexity: 110

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Chloro-4-fluorobenzylAlcohol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1CO)Cl)F
• Uses: 3-Chloro-4-fluorobenzyl alcohol is used as a pharmaceutical intermediate.

Technology Process of 3-Chloro-4-fluorobenzyl alcohol

There total 2 articles about 3-Chloro-4-fluorobenzyl alcohol 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:

3-Chloro-4-fluorobenzaldehyde (34328-61-5) → 3-chloro-4-fluorobenzyl alcohol (161446-90-8)

Guidance literature:

With sodium tetrahydroborate; In tetrahydrofuran; methanol; at 0 ℃; for 0.0333333h;

Reference yield:

3-chloro-4-fluorobenzoic acid (403-16-7) → 3-chloro-4-fluorobenzyl alcohol (161446-90-8)

Guidance literature:

With LiAlH₄; In tetrahydrofuran;

Reference yield: 77.0%

2-fluoro-5-nitrophenyldiazonium tetrafluoroborate + 3-chloro-4-fluorobenzyl alcohol (161446-90-8) → 2-((3-chloro-4-fluorobenzyl)oxy)-5-nitrobenzenediazonium tetrafluoroborate

Guidance literature:

In dimethylsulfoxide-d6; [D₃]acetonitrile; at 40 ℃; for 15h; Inert atmosphere;

DOI:10.1002/chem.202100187

upstream raw materials:

3-Chloro-4-fluorobenzaldehyde

3-chloro-4-fluorobenzoic acid

Downstream raw materials:

(1S,2R,3R,5R,6S)-2-Amino-3-(3-chloro-4-fluoro-benzyloxy)-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid diethyl ester

(1S,2R,3R,5R,6S)-2-Azido-3-(3-chloro-4-fluoro-benzyloxy)-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid diethyl ester

3-chloro-4-fluorobenzyl bromide

C₁₉H₁₈Cl₂FN₃O₃

Refernces

• 1、 He, Chao,Zhang, Xiaohui,Huang, Ruofeng,Pan, Jing,Li, Jiaqiang,Ling, Xuege,Xiong, Yan,Zhu, Xiangming. "Synthesis of structurally diverse diarylketones through the diarylmethyl sp3 C-H oxidation". supporting information. p. 4458 - 4462. Retrieved 2014/08/05.
• 2、 -. "PHOSPHADIAZINE HCV POLYMERASE INHIBITORS I AND II". Page/Page column 63. . Retrieved 2009/04/24.