3-Fluoro-2-methylbenzyl alcohol

Base Information

• Chemical Name: 3-Fluoro-2-methylbenzyl alcohol
• CAS No.: 500912-13-0
• Molecular Formula: C8H9FO
• Molecular Weight: 140.157
• Hs Code.: 2906290090
• DSSTox Substance ID: DTXSID80381344
• Wikidata: Q82172124
• Mol file: 500912-13-0.mol

Synonyms:3-Fluoro-2-methylbenzyl alcohol;500912-13-0;(3-fluoro-2-methylphenyl)methanol;3-Fluoro-2-methylbenzylalcohol;SCHEMBL3127809;DTXSID80381344;MFCD03788542;AKOS015890068;AC-9742;PS-9041;SB83925;Benzenemethanol,3-fluoro-2-methyl-(9CI);CS-0193198;FT-0653884;A22648;E89702;EN300-1698016;J-512460

Chemical Property of 3-Fluoro-2-methylbenzyl alcohol

Chemical Property:

• Vapor Pressure: 0.085mmHg at 25°C
• Refractive Index: 1.518
• Boiling Point: 215.8ºC at 760 mmHg
• Flash Point: 104ºC
• PSA: 20.23000
• Density: 1.132g/cm3
• LogP: 1.62640
• Storage Temp.: 2-8°C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 140.063743068
• Heavy Atom Count: 10
• Complexity: 105

Purity/Quality:

98%min ^*data from raw suppliers

3-Fluoro-2-methylbenzylAlcohol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC=C1F)CO

Technology Process of 3-Fluoro-2-methylbenzyl alcohol

There total 1 articles about 3-Fluoro-2-methylbenzyl 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: 69.0%

3-fluoro-2-methylbenzaldehyde (147624-13-3) → (3-fluoro-2-methylphenyl)methanol (500912-13-0)

Guidance literature:

With sodium tetrahydroborate; In ethanol; at 20 ℃; for 3h;

Reference yield: 82.0%

(3-fluoro-2-methylphenyl)methanol (500912-13-0) + tert-butyl 4-(6-chloropyrazin-2-yl)-1,4-diazepane-1-carboxylate → 1-(6-((3-fluoro-2-methylbenzyl)oxy)pyrazin-2-yl)-1,4-diazepane dihydrochloride

Guidance literature:

(3-fluoro-2-methylphenyl)methanol; tert-butyl 4-(6-chloropyrazin-2-yl)-1,4-diazepane-1-carboxylate; With sodium hydride; In N,N-dimethyl-formamide; at 100 ℃; for 6h;

With hydrogenchloride; In 1,4-dioxane; at 20 ℃; for 12h;

Reference yield:

(3-fluoro-2-methylphenyl)methanol (500912-13-0) → 1-(bromomethyl)-3-fluoro-2-methylbenzene (500912-14-1)

Guidance literature:

With phosphorus tribromide; In dichloromethane; at 20 ℃; for 1h; Cooling with ice;

upstream raw materials:

3-fluoro-2-methylbenzaldehyde

Downstream raw materials:

1-(bromomethyl)-3-fluoro-2-methylbenzene

Refernces