2-Fluoro-4-(hydroxymethyl)benzonitrile

Base Information

• Chemical Name: 2-Fluoro-4-(hydroxymethyl)benzonitrile
• CAS No.: 222978-02-1
• Molecular Formula: C8H6 F N O
• Molecular Weight: 151.14
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID10473983
• Wikidata: Q82303710
• Mol file: 222978-02-1.mol

Synonyms:2-fluoro-4-(hydroxymethyl)benzonitrile;222978-02-1;4-Cyano-3-fluorobenzyl alcohol;2-Fluoro-4-(hydroxymethyl)benzenecarbonitrile;MFCD08236861;BENZONITRILE, 2-FLUORO-4-(HYDROXYMETHYL)-;3-fluoro-4-cyanobenzyl alcohol;SCHEMBL3164050;4-cyano-3-fluoro-benzyl alcohol;DTXSID10473983;WLQHJQUGYACADR-UHFFFAOYSA-N;2-Fluoro-4-hydroxymethylbenzonitrile;CL8922;2-Fluoro-4-hydroxymethyl-benzonitrile;AKOS005072202;AB44199;CS-W005493;DB-0605;SY106756;FT-0680920;2-fluoranyl-4-(hydroxymethyl)benzenecarbonitrile;A816093;2-fluoro-4-(hydroxymethyl)benzonitrile, AldrichCPR;J-509386

Chemical Property of 2-Fluoro-4-(hydroxymethyl)benzonitrile

Chemical Property:

• Melting Point: 66-68
• PSA: 44.02000
• LogP: 1.18968
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 151.043341977
• Heavy Atom Count: 11
• Complexity: 174

Purity/Quality:

97% ^*data from raw suppliers

2-Fluoro-4-(hydroxymethyl)benzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1CO)F)C#N

Technology Process of 2-Fluoro-4-(hydroxymethyl)benzonitrile

There total 14 articles about 2-Fluoro-4-(hydroxymethyl)benzonitrile 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: 98.0%

4-cyano-3-fluorobenzaldehyde (101048-76-4) → 2-fluoro-4-(hydroxymethyl)benzonitrile (222978-02-1)

Guidance literature:

With sodium tetrahydroborate; In ethanol; at 0 ℃; for 0.166667h;

DOI:10.1021/jm010531d

Reference yield: 96.0%

2-fluoro-4-(methoxycarbonyl)benzonitrile (268734-34-5) → 2-fluoro-4-(hydroxymethyl)benzonitrile (222978-02-1)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 20 ℃; for 72h;

DOI:10.1002/cmdc.201700596

Reference yield: 81.0%

4-ethenyl-2-fluorobenzonitrile (433939-83-4) → 2-fluoro-4-(hydroxymethyl)benzonitrile (222978-02-1)

Guidance literature:

4-ethenyl-2-fluorobenzonitrile; With methanol; ozone; In dichloromethane; at -78 ℃; for 0.5h;

With sodium tetrahydroborate; In dichloromethane; for 1h;

With hydrogenchloride; In water;

upstream raw materials:

dicyanozinc

4-bromo-3-fluorobenzyl alcohol

4-cyano-3-fluorobenzaldehyde

4-bromo-3-fluorotoluene

Downstream raw materials:

4-cyano-3-fluorobenzylbromide

(S)-{1-[7-[(tert-butyldiphenylsilyl)oxy]naphthalen-1-yl]-2-oxopyrrolidin-3-yl}-{2-[3-(4-cyano-3-fluorobenzyl)-3H-imidazol-4-yl]ethyl}carbamic acid tert-butyl ester

4-cyano-3-fluorobenzaldehyde

2-Fluoro-4-[hydroxy-(3-methyl-3H-imidazol-4-yl)-methyl]-benzonitrile