2,4-Difluorobenzyl alcohol

Base Information

• Chemical Name: 2,4-Difluorobenzyl alcohol
• CAS No.: 56456-47-4
• Molecular Formula: C7H6 F2 O
• Molecular Weight: 144.121
• Hs Code.: 29062990
• European Community (EC) Number: 260-191-3
• UNII: SVX5XQB2MB
• DSSTox Substance ID: DTXSID70205005
• Nikkaji Number: J208.422H
• Wikidata: Q27095232
• Metabolomics Workbench ID: 148894
• Mol file: 56456-47-4.mol

Synonyms:2,4-Difluorobenzyl alcohol;56456-47-4;(2,4-Difluorophenyl)methanol;2,4-Difluorobenzylalcohol;Benzenemethanol, 2,4-difluoro-;SVX5XQB2MB;2,4-DIFLUOROBENZYL ALCOHOL 2,4-DIFLUORO-1-(HYDROXYMETHYL)BENZENE;EINECS 260-191-3;MFCD00009983;24B;UNII-SVX5XQB2MB;2,4-diflouro benzyl alcohol;SCHEMBL93024;2, 4-Difluorobenzyl alcohol;(2,4-Difluorophenyl)methanol #;NIJZBWHOHNWJBX-UHFFFAOYSA-;DTXSID70205005;AKOS000249420;AC-9731;AM62543;DB04448;PS-8987;SY016333;CS-0071857;D1838;FT-0610093;A22574;EN300-1263452;J-507213;Q27095232;F8882-0289;(2,4-Difluoro-phenyl)-methanol

Chemical Property of 2,4-Difluorobenzyl alcohol

Chemical Property:

• Appearance/Colour: Colorless liquid.
• Vapor Pressure: 0.279mmHg at 25°C
• Refractive Index: n20/D 1.487(lit.)
• Boiling Point: 194.3°Cat760mmHg
• PKA: 13.82±0.10(Predicted)
• Flash Point: 90 ºC
• PSA: 20.23000
• Density: 1.29
• LogP: 1.45710
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 144.03867113
• Heavy Atom Count: 10
• Complexity: 108

Purity/Quality:

98% ^*data from raw suppliers

2,4-Difluorobenzyl Alcohol ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,4-Difluorobenzyl alcohol

There total 6 articles about 2,4-Difluorobenzyl 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: 100.0%

2,4-difluorobenzaldehyde (1550-35-2) → 2,4-difluorobenzyl alcohol (56456-47-4)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 0 ℃; Inert atmosphere;

DOI:10.1016/j.ejmech.2015.12.028

Reference yield: 96.0%

methyl 2,4-difluorobenzoate (106614-28-2) → 2,4-difluorobenzyl alcohol (56456-47-4)

Guidance literature:

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

DOI:10.1016/j.tetlet.2004.06.034

Reference yield: 65.82%

2,4-difluoro-benzoic acid (1583-58-0) → 2,4-difluorobenzyl alcohol (56456-47-4)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20 ℃; for 2h; Inert atmosphere;

upstream raw materials:

methyl 2,4-difluorobenzoate

2,4-difluorobenzaldehyde

2,4-difluoro-benzoic acid

Downstream raw materials:

(2,4-difluorobenzyl) 2,2,2-trichloroacetimidate

C₁₇H₉BrF₄N₂O₂

C₁₇H₁₁BrF₂N₂O₂

1-(bromomethyl)-2,4-difluorobenzene

Refernces

• 1、 -. "BORON CONTAINING COMPOUNDS AND THEIR USES". Paragraph 0305; 0306. . Retrieved 2020/03/29.
• 2、 Malachowski, William P.,Winters, Maria,DuHadaway, James B.,Lewis-Ballester, Ariel,Badir, Shorouk,Wai, Jenny,Rahman, Maisha,Sheikh, Eesha,LaLonde, Judith M.,Yeh, Syun-Ru,Prendergast, George C.,Muller, Alexander J.. "O-alkylhydroxylamines as rationally-designed mechanism-based inhibitors of indoleamine 2,3-dioxygenase-1". supporting information. p. 564 - 576. Retrieved 2016/01/09.