2-Fluorobenzyl alcohol

Base Information

• Chemical Name: 2-Fluorobenzyl alcohol
• CAS No.: 446-51-5
• Molecular Formula: C7H7FO
• Molecular Weight: 126.13
• Hs Code.: 29062900
• European Community (EC) Number: 207-170-7
• NSC Number: 158274
• DSSTox Substance ID: DTXSID10196241
• Nikkaji Number: J53A
• Wikidata: Q72479277
• Mol file: 446-51-5.mol

Synonyms:(2-Fluorophenyl)methanol;2-Fluorobenzylic alcohol;o-Fluorobenzyl alcohol;o-Fluoro Benzylalcohol;

Chemical Property of 2-Fluorobenzyl alcohol

Chemical Property:

• Appearance/Colour: Clear colorless to slightly yellow liquid
• Vapor Pressure: 1.16mmHg at 25°C
• Melting Point: 91-94 °C
• Refractive Index: n20/D 1.514(lit.)
• Boiling Point: 196.1 °C at 760 mmHg
• PKA: 13.88±0.10(Predicted)
• Flash Point: 90.6 °C
• PSA: 20.23000
• Density: 1.173 g/cm³
• LogP: 1.31800
• Storage Temp.: Store below +30°C.
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 126.048093005
• Heavy Atom Count: 9
• Complexity: 85

Purity/Quality:

99% ^*data from raw suppliers

2-Fluorobenzyl Alcohol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi, C
• Hazard Codes: Xi,C
• Statements: 14-34-36/37
• Safety Statements: 23-24/25-45-36/37/39-27-26

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)CO)F
• Uses: 2-Fluorobenzyl alcohol was used in Nafion-H catalyzed preparation of diphenylmethyl ethers of alcohols.

Technology Process of 2-Fluorobenzyl alcohol

There total 34 articles about 2-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: 100.0%

2-Fluorobenzaldehyde (446-52-6) → 2-fluorobenzyl alcohol (446-51-5)

Guidance literature:

With hydrogen; Et4N; In 1,2-dimethoxyethane; at 100 ℃; for 13h; under 38000 Torr; Product distribution; other aldehydes;

DOI:10.1016/S0040-4039(00)92043-4

Reference yield: 95.0%

2-((2-fluorobenzyl)oxy)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane → 2-fluorobenzyl alcohol (446-51-5)

Guidance literature:

With silica gel; In ethyl acetate; Petroleum ether;

DOI:10.1021/acs.organomet.8b00700

Reference yield: 90.0%

2-Fluorobenzaldehyde (446-52-6) → 2-fluorobenzyl alcohol (446-51-5) + o-fluoro-benzoic acid (445-29-4)

Guidance literature:

With sodium hydroxide; In water; at 25 ℃; for 3.5h;

DOI:10.1039/c5nj02313k

upstream raw materials:

o-fluorobenzyl bromide

2-Fluorotoluene

2-fluorobenzyl acetate

ethanol

Downstream raw materials:

2-fluorobenzyl N-succinimidyl carbonate

2-fluorobenzyl acetate

o-fluorobenzyl bromide

(2S,3aS,7aS)-1-2-(2-fluorobenzyloxycarbonyl)-L-lysyl-γ-D-glutamyl>octahydro-1H-indole-2-carboxylic acid

Refernces

• 1、 Newland, Robert J.,Delve, Matthew P.,Wingad, Richard L.,Mansell, Stephen M.. "Two isomers of a bis(diphenylphosphino)phosphinine, and the synthesis and reactivity of Ru arene/Cp* phosphinophosphinine complexes". . p. 19625 - 19636. Retrieved 2018.
• 2、 Amberchan, Gabriella,Snelling, Rachel A.,Moya, Enrique,Landi, Madison,Lutz, Kyle,Gatihi, Roxanne,Singaram, Bakthan. "Reaction of Diisobutylaluminum Borohydride, a Binary Hydride, with Selected Organic Compounds Containing Representative Functional Groups". supporting information. p. 6207 - 6227. Retrieved 2021/05/06.
• 3、 Battu, Satyanarayana,Joolakanti, Hima Bindhu,Kamepalli, Ramanjaneyulu,Miryala, Jeevanreddy. "Synthesis, Docking, and Biological activities of novel Metacetamol embedded [1,2,3]-triazole derivatives". . . Retrieved 2021/06/18.