2-Chloro-4-fluorobenzyl alcohol

Base Information

• Chemical Name: 2-Chloro-4-fluorobenzyl alcohol
• CAS No.: 208186-84-9
• Molecular Formula: C7H6ClFO
• Molecular Weight: 160.575
• Hs Code.: 29062990
• European Community (EC) Number: 670-709-3
• DSSTox Substance ID: DTXSID70407224
• Nikkaji Number: J2.070.413F
• Wikidata: Q82212469
• Mol file: 208186-84-9.mol

Synonyms:2-Chloro-4-fluorobenzyl alcohol;208186-84-9;(2-chloro-4-fluorophenyl)methanol;Benzenemethanol, 2-chloro-4-fluoro-;2-Chloro-4-fluorobenzylalcohol;MFCD00236024;SCHEMBL697564;2-Chloro-4-fluorobenzenemethanol;DTXSID70407224;ZUHMDLLAHZUDRE-UHFFFAOYSA-N;Benzenemethanol,2-chloro-4-fluoro-;AKOS009159303;AM62586;CS-W017935;SY003745;TS-02135;A4529;C2527;FT-0611764;EN300-1232068;J-508737

Chemical Property of 2-Chloro-4-fluorobenzyl alcohol

Chemical Property:

• Appearance/Colour: WHITE CRYSTALLINE POWDER
• Vapor Pressure: 0.0315mmHg at 25°C
• Melting Point: 45-48 °C
• Refractive Index: 1.542
• Boiling Point: 233.1 °C at 760 mmHg
• PKA: 13.54±0.10(Predicted)
• Flash Point: 94.8 °C
• PSA: 20.23000
• Density: 1.344 g/cm³
• LogP: 1.97140
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 2
• 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% ^*data from raw suppliers

2-Chloro-4-fluorobenzyl Alcohol ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)Cl)CO

Technology Process of 2-Chloro-4-fluorobenzyl alcohol

There total 3 articles about 2-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: 91.3%

2-choro-4-fluorobenzoic acid (2252-51-9) → (2-chloro-4-fluorophenyl)methanol (208186-84-9)

Guidance literature:

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

Reference yield: 90.0%

methyl 2-chloro-4-fluorobenzoate (85953-29-3) → (2-chloro-4-fluorophenyl)methanol (208186-84-9)

Guidance literature:

With methanol; sodium tetrahydroborate; In tetrahydrofuran; at 65 ℃; for 3.5h;

DOI:10.1016/j.tetlet.2004.06.034

Reference yield: 87.0%

2-chloro-4-fluorobenzaldehyde (84194-36-5) → (2-chloro-4-fluorophenyl)methanol (208186-84-9)

Guidance literature:

With ammonium chloride; zinc; In tetrahydrofuran; water; at 20 ℃; for 0.333333h;

DOI:10.1002/ejoc.201700887

upstream raw materials:

methyl 2-chloro-4-fluorobenzoate

2-choro-4-fluorobenzoic acid

2-chloro-4-fluorobenzaldehyde

Downstream raw materials:

4-(2-chloro-4-fluorobenzyloxy)-3,5-dimethoxybenzaldehyde

sodium 2-chloro-4-fluorobenzyloxymethyl trifluoroborate

(R)-3-(3-(4-(2-chloro-4-fluorobenzyloxy)phenyl)-2-((4,5-dimethoxy-2-nitrobenzyloxy)carbonylamino)propanamido)propanoic acid

(2-chloro-4-fluorophenyl)(phenyl)methanone

Refernces

• 1、 Mandal, Tirtha,Jana, Snehasish,Dash, Jyotirmayee. "Zinc-Mediated Efficient and Selective Reduction of Carbonyl Compounds". . p. 4972 - 4983. Retrieved 2017/09/13.
• 2、 Boechat, Núbia,Santos Da Costa, Jorge Carlos,De Souza Mendon?a, Jorge,Mello De Oliveira, Pedro Santos,Nora De Souza, Marcus Vinícius. "A simple reduction of methyl aromatic esters to alcohols using sodium borohydride-methanol system". . p. 6021 - 6022. Retrieved 2007/10/03.