2-Fluoro-3-methylbenzyl alcohol

Base Information

• Chemical Name: 2-Fluoro-3-methylbenzyl alcohol
• CAS No.: 307975-03-7
• Molecular Formula: C8H9 F O
• Molecular Weight: 140.15
• Hs Code.: 2906290090
• European Community (EC) Number: 821-327-2
• DSSTox Substance ID: DTXSID40382458
• Wikidata: Q82173816
• Mol file: 307975-03-7.mol

Synonyms:2-Fluoro-3-methylbenzyl alcohol;307975-03-7;(2-fluoro-3-methylphenyl)methanol;SCHEMBL1145716;DTXSID40382458;MFCD07368780;AKOS016007502;SB84034;CS-0194681;E90057;EN300-1868236

Chemical Property of 2-Fluoro-3-methylbenzyl alcohol

Chemical Property:

• Vapor Pressure: 0.0875mmHg at 25°C
• Refractive Index: 1.518
• Boiling Point: 215.3°C at 760 mmHg
• Flash Point: 103.6°C
• Density: 1.132g/cm³
• 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:

97% ^*data from raw suppliers

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

Safty Information:

• Hazard Codes: C

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)CO)F

Technology Process of 2-Fluoro-3-methylbenzyl alcohol

There total 3 articles about 2-Fluoro-3-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:

2-fluoro-3-methyl benzaldehyde (886762-64-7) → (2-fluoro-3-methylphenyl)methanol (307975-03-7)

Guidance literature:

With methanol; sodium tetrahydroborate; at 0 ℃; for 0.166667h;

DOI:10.1002/ejoc.201601608

Reference yield:

2-fluoro-3-methylbenzoic acid (315-31-1) → (2-fluoro-3-methylphenyl)methanol (307975-03-7)

Guidance literature:

With lithium aluminium tetrahydride;

DOI:10.1016/S0960-894X(00)00416-9

Reference yield:

2-Fluorotoluene (95-52-3) → (2-fluoro-3-methylphenyl)methanol (307975-03-7)

Guidance literature:

Multi-step reaction with 2 steps

1: n-BuLi

2: LiAlH₄

With lithium aluminium tetrahydride; n-butyllithium; 1: Metallation / 1: Carboxylation / 2: Reduction;

DOI:10.1016/S0960-894X(00)00416-9

upstream raw materials:

2-fluoro-3-methylbenzoic acid

2-Fluorotoluene

2-fluoro-3-methyl benzaldehyde

Downstream raw materials:

(3-{4-[1-(2-fluoro-3-methyl-benzyloxy)-ethyl]-2-methoxy-5-nitro-phenoxy}-propyl)-carbamic acid tert-butyl ester

2-fluoro-3-methylbenzyl bromide

Refernces

• 1、 Pirrung, Michael C.,Park, Kaapjoo. "Discovery of selective metal-binding peptoids using 19F encoded combinatorial libraries". . p. 2115 - 2118. Retrieved 2007/10/03.