4-Fluorobenzyl alcohol

Base Information

• Chemical Name: 4-Fluorobenzyl alcohol
• CAS No.: 459-56-3
• Molecular Formula: C7H7FO
• Molecular Weight: 126.13
• Hs Code.: 29062900
• European Community (EC) Number: 207-292-0
• NSC Number: 63347
• UNII: 5KB3N2WUR9
• DSSTox Substance ID: DTXSID4075409
• Nikkaji Number: J62K
• Wikidata: Q72479273
• Mol file: 459-56-3.mol

Synonyms:Benzylalcohol, p-fluoro- (6CI,7CI,8CI);(4-Fluorophenyl)methanol;4-Fluorobenzenemethanol;p-Fluorophenylmethanol;NSC 63347;p-Fluorobenzyl alcohol;

Chemical Property of 4-Fluorobenzyl alcohol

Chemical Property:

• Appearance/Colour: colorless or slightly yellow liquid
• Vapor Pressure: 0.828mmHg at 25°C
• Melting Point: 23 °C
• Refractive Index: n20/D 1.507(lit.)
• Boiling Point: 202 °C at 760 mmHg
• PKA: 14.29±0.10(Predicted)
• Flash Point: 94.6 °C
• PSA: 20.23000
• Density: 1.173 g/cm³
• LogP: 1.31800
• Storage Temp.: Store below +30°C.
• Water Solubility.: Slightly soluble in water.
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 126.048093005
• Heavy Atom Count: 9
• Complexity: 77

Purity/Quality:

99% ^*data from raw suppliers

4-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:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1CO)F
• Uses: 4-Fluorobenzyl Alcohol has been used in the preparation of many compounds including amides.

Technology Process of 4-Fluorobenzyl alcohol

There total 93 articles about 4-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: 99.0%

methyl 4-flurobenzoate (403-33-8) → 4-fluorobenzylic alcohol (459-56-3)

Guidance literature:

With C₂₃H₂₉Cl₂N₂OPRuS; potassium tert-butylate; hydrogen; In 2-methyltetrahydrofuran; at 100 ℃; for 16h; under 37503.8 Torr; Time; Catalytic behavior; Autoclave;

DOI:10.1039/c2dt30973d

Reference yield: 99.0%

2-((4-fluorobenzyl)oxy)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane → 4-fluorobenzylic alcohol (459-56-3)

Guidance literature:

With silica gel; In ethyl acetate; Petroleum ether;

DOI:10.1021/acs.organomet.8b00700

Reference yield: 97.0%

C13H13FOSi → 4-fluorobenzylic alcohol (459-56-3)

Guidance literature:

With sodium hydroxide; In water; Schlenk technique; Inert atmosphere;

DOI:10.1007/s10562-021-03578-9

upstream raw materials:

4-Fluorobenzoic acid

4-fluorobenzaldehyde

4-Fluorobenzyl bromide

1-chloromethyl-4-fluorobenzene

Downstream raw materials:

(4-fluorobenzyloxy)trimethylsilane

methyl 4-flurobenzoate

N-(4-Fluor-benzyloxycarbonyl)-glycin

7-(4-fluoro-benzyloxy)-3H-quinazolin-4-one

Refernces

• 1、 Pandey, Vipin K.,Tiwari, Chandra Shekhar,Rit, Arnab. "Silver-Catalyzed Hydroboration of C-X (X = C, O, N) Multiple Bonds". supporting information. p. 1681 - 1686. Retrieved 2021/03/03.
• 2、 Fang, Fei,Chang, Jiarui,Zhang, Jie,Chen, Xuenian. "Efficient Solvent-Free Hydrosilylation of Aldehydes and Ketones Catalyzed by Fe2(CO)9/C6H4-o-(NCH2PPh2)2BH". . p. 3509 - 3515. Retrieved 2021/03/16.