2,6-Difluorobenzyl alcohol

Base Information

• Chemical Name: 2,6-Difluorobenzyl alcohol
• CAS No.: 19064-18-7
• Molecular Formula: C7H6F2O
• Molecular Weight: 144.121
• Hs Code.: 2906299090
• European Community (EC) Number: 242-792-2
• UNII: PLZ48WF86A
• DSSTox Substance ID: DTXSID40172558
• Nikkaji Number: J224.849B
• Wikidata: Q72462636
• Mol file: 19064-18-7.mol

Synonyms:2,6-Difluorobenzyl alcohol;19064-18-7;(2,6-Difluorophenyl)methanol;Benzenemethanol, 2,6-difluoro-;2,6-Difluorobenzenemethanol;(2,6-difluoro-phenyl)-methanol;2,6-difluorobenzylalcohol;MFCD00004603;PLZ48WF86A;EINECS 242-792-2;2,6-Difluoro benzylalcohol;2,6-diflorobenzyl alcohol;UNII-PLZ48WF86A;SCHEMBL113326;(2,6-Difluorophenyl)methanol #;LVICICZQETYOGS-UHFFFAOYSA-;DTXSID40172558;AKOS000249583;AC-8273;CS-W016397;PS-8986;SY006446;AM20030241;D2507;FT-0637786;EN300-128273;W-107740

Chemical Property of 2,6-Difluorobenzyl alcohol

Chemical Property:

• Appearance/Colour: clear colorless to light yellow liquid
• Vapor Pressure: 4.23E-07mmHg at 25°C
• Melting Point: 168.5-169 °C
• Refractive Index: n20/D 1.495(lit.)
• Boiling Point: 188.6 °C at 760 mmHg
• PKA: 13.41±0.10(Predicted)
• Flash Point: 88.9 °C
• PSA: 20.23000
• Density: 1.29 g/cm³
• LogP: 1.45710
• Storage Temp.: 2-8°C
• Water Solubility.: Not miscible or difficult to mix in water.
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 144.03867113
• Heavy Atom Count: 10
• Complexity: 97.8

Purity/Quality:

99% ^*data from raw suppliers

2,6-Difluorobenzyl Alcohol ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)F)CO)F
• Uses: 2,6-Difluorobenzyl alcohol is used to get 2-(bromomethyl)-1,3-difluorobenzene.

Technology Process of 2,6-Difluorobenzyl alcohol

There total 6 articles about 2,6-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:

methyl 2,6-difluorobenzoate (13671-00-6) → 2,6-difluorobenzyl alcohol (19064-18-7)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20 ℃; for 16h;

Reference yield:

2,6-difluorobenzaldehyde (437-81-0) → 2,6-difluorobenzyl alcohol (19064-18-7)

Guidance literature:

With lithium aluminium tetrahydride;

DOI:10.1021/jm00310a026

Reference yield:

1,3-Difluorobenzene (372-18-9) → 2,6-difluorobenzyl alcohol (19064-18-7)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) nBuLi, (ii) /BRN= 636496/

2: LiAlH₄

With lithium aluminium tetrahydride;

DOI:10.1021/jm00310a026

upstream raw materials:

2,6-difluorobenzaldehyde

2-(2,6-difluorophenyl)-4,5-dihydro-4,4-dimethyl-1,3-oxazole

1,3-Difluorobenzene

methyl 2,6-difluorobenzoate

Downstream raw materials:

2-(2,6-difluorophenyl)benzoxazole

2,6-difluorobenzaldehyde

C₁₂H₉F₂NO₂

2-(azidomethyl)-1,3-difluorobenzene

Refernces

• 1、 -. "Hydrogen Bond Directed Photocatalytic Hydrodefluorination and Methods of Use Thereof". Paragraph 0182. . Retrieved 2021/01/22.
• 2、 Meyers,Shimano. "A facile cleavage of oxazolines to carbinols". . p. 4893 - 4896. Retrieved 2007/10/02.