2,5-Difluorobenzyl alcohol

Base Information

• Chemical Name: 2,5-Difluorobenzyl alcohol
• CAS No.: 75853-20-2
• Molecular Formula: C7H6 F2 O
• Molecular Weight: 144.121
• Hs Code.: 29062990
• European Community (EC) Number: 278-325-4
• UNII: 4L8M6A2PTJ
• DSSTox Substance ID: DTXSID20226760
• Nikkaji Number: J319.144C
• Wikidata: Q72462621
• Mol file: 75853-20-2.mol

Synonyms:2,5-Difluorobenzyl alcohol;75853-20-2;(2,5-difluorophenyl)methanol;Benzenemethanol, 2,5-difluoro-;2,5-difluorobenzylalcohol;4L8M6A2PTJ;EINECS 278-325-4;UNII-4L8M6A2PTJ;SCHEMBL109397;(2,5-difluoro-phenyl)-methanol;DTXSID20226760;2,5-DIFLUOROBENZENEMETHANOL;2,5-Difluorobenzyl alcohol, 99%;CK2478;MFCD00010627;AKOS009159518;AC-9734;PS-8983;SB83858;D2818;FT-0610354;A22578;EN300-1263178;J-507339;F8882-0637;(2,5-Difluorophenyl)methanol;2,5-Difluorobenzenemethanol

Chemical Property of 2,5-Difluorobenzyl alcohol

Chemical Property:

• Appearance/Colour: Colorless liquid.
• Vapor Pressure: 0.313mmHg at 25°C
• Melting Point: 9ºC
• Refractive Index: n20/D 1.49(lit.)
• Boiling Point: 197ºC
• PKA: 13.61±0.10(Predicted)
• Flash Point: 94 ºC
• PSA: 20.23000
• Density: 1.29
• LogP: 1.45710
• Storage Temp.: Sealed in dry,Room Temperature
• 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:

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

2,5-Difluorobenzyl Alcohol ^*data from reagent suppliers

Safty Information:

• 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=C1F)CO)F

Technology Process of 2,5-Difluorobenzyl alcohol

There total 1 articles about 2,5-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:

2,5-difluorobenzaldehyde (2646-90-4) → 2,5-difluoro-benzyl alcohol (75853-20-2)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 0 - 20 ℃; for 4h;

DOI:10.1016/j.ejmech.2017.10.034

Reference yield: 97.0%

trichloroacetonitrile (545-06-2) + 2,5-difluoro-benzyl alcohol (75853-20-2) → (2,5-difluorobenzyl) 2,2,2-trichloroacetimidate (367488-47-9)

Guidance literature:

2,5-difluoro-benzyl alcohol; With tetra(n-butyl)ammonium hydrogensulfate; In dichloromethane; at 0 ℃; for 0.0833333h;

trichloroacetonitrile; In dichloromethane; at 0 - 20 ℃; for 2.5h; Further stages.;

DOI:10.1021/jm001134q

Reference yield: 80.0%

1,2-diamino-benzene (95-54-5) + 2,5-difluoro-benzyl alcohol (75853-20-2) → 1-(2,5-difluorobenzyl)-2-(2,5-difluorophenyl)-1H-benzo[d]imidazole

Guidance literature:

With Zr₆(μ₃-O)₄(μ₃-OH)₄(OH)₆(H₂O)₆(IDA)₃; potassium hydroxide; In toluene; at 110 ℃; for 8h;

DOI:10.1002/cplu.201900349

upstream raw materials:

2,5-difluorobenzaldehyde

Downstream raw materials:

(2,5-difluorobenzyl) 2,2,2-trichloroacetimidate

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

2-[[(4-chlorophenyl)thio]methyl]-1,4-difluorobenzene

2-[(2,5-Difluorobenzyl)Oxy]-6-(1-Piperazinyl)Pyrazine, Maleate

Refernces