2,3-Difluorobenzyl alcohol

Base Information

• Chemical Name: 2,3-Difluorobenzyl alcohol
• CAS No.: 75853-18-8
• Molecular Formula: C7H6F2O
• Molecular Weight: 144.121
• Hs Code.: 29062990
• European Community (EC) Number: 922-760-0,625-951-4
• UNII: I14VR7T96O
• DSSTox Substance ID: DTXSID70332244
• Wikidata: Q27095131
• Metabolomics Workbench ID: 69928
• ChEMBL ID: CHEMBL1232182
• Mol file: 75853-18-8.mol

Synonyms:2,3-Difluorobenzyl alcohol;75853-18-8;(2,3-Difluorophenyl)methanol;Benzenemethanol, 2,3-difluoro-;2,3-difluorobenzylalcohol;MFCD00010312;2,3-Difluorobenzenemethanol;I14VR7T96O;CHEBI:41883;2,3-Difluorophenylalcohol;SBB063662;2,3-diflorobenzyl alcohol;bmse000729;(2,3difluorophenyl)methanol;2,3-Difluoro Benzylalcohol;UNII-I14VR7T96O;(2,3 difluorophenyl)methanol;SCHEMBL112270;(2,3-difluoro-phenyl)methanol;CHEMBL1232182;(2,3-difluoro-phenyl)-methanol;(2,3-Difluorophenyl)methanol #;DTXSID70332244;2,3-Difluorobenzyl alcohol, 94%;2,3-Difluorobenzyl alcohol, 97%;BCP27032;AKOS005258057;AG-H-02458;AM61633;CS-W016400;DB04312;PS-8982;AC-23889;SY016931;D4619;FT-0609616;J-506963;Q27095131

Chemical Property of 2,3-Difluorobenzyl alcohol

Chemical Property:

• Appearance/Colour: Clear colorless to pale brown liquid
• Vapor Pressure: 0.265mmHg at 25°C
• Refractive Index: n20/D 1.492(lit.)
• Boiling Point: 195.2 °C at 760 mmHg
• PKA: 13.61±0.10(Predicted)
• Flash Point: 93.9 °C
• PSA: 20.23000
• Density: 1.29 g/cm³
• LogP: 1.45710
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Slightly soluble in water.
• XLogP3: 1.2
• 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:

99% ^*data from raw suppliers

2,3-Difluorobenzyl alcohol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 41-36/37/38
• Safety Statements: 26-39-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)F)F)CO
• Uses: It is used to produce 1-bromomethyl-2,3-difluoro-benzene with reagent PBr3 and solvent toluene at the temperature of 100°C for 1 hour. 2,3-Difluorobenzyl alcohol may be used in chemical synthesis studies.

Technology Process of 2,3-Difluorobenzyl alcohol

There total 2 articles about 2,3-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: 40.0%

2,3-difluorobenzoic acid (4519-39-5) → (2,3-difluoro-phenyl)-methanol (75853-18-8)

Guidance literature:

With diborane; In tetrahydrofuran; for 1.5h;

DOI:10.1021/jm00400a019

Reference yield:

ortho-difluorobenzene (367-11-3) → (2,3-difluoro-phenyl)-methanol (75853-18-8)

Guidance literature:

Multi-step reaction with 2 steps

1.1: n-butyllithium / tetrahydrofuran / 2 h / -70 °C

1.2: 2 h

2.1: sodium tetrahydroborate / methanol / 4 h / 5 - 30 °C

With sodium tetrahydroborate; n-butyllithium; In tetrahydrofuran; methanol;

Reference yield: 97.0%

(2,3-difluoro-phenyl)-methanol (75853-18-8) + norcantharidin (29745-04-8) → C15H14F2O5

Guidance literature:

With dmap; In dichloromethane; at 60 ℃; for 14h; Sealed tube; Inert atmosphere;

upstream raw materials:

2,3-difluorobenzoic acid

ortho-difluorobenzene

Downstream raw materials:

2,3-difluorobenzyl bromide

(2,3-difluorobenzyl) 2,2,2-trichloroacetimidate

(3R,3aR,6R,6aR)-3,6-Bis-(2,3-difluoro-benzyloxy)-tetrahydro-furo[3,2-b]furan-2,5-dione

Refernces

• 1、 Kelley,Krochmal,Linn,McLean,Soroko. "9-(2-fluorobenzyl)-6-(alkylamino)-9H-purines. A new class of anticonvulsant agents". . p. 1005 - 1009. Retrieved 2007/10/02.