5-Fluoro-2-methylbenzyl alcohol

Base Information

• Chemical Name: 5-Fluoro-2-methylbenzyl alcohol
• CAS No.: 22062-54-0
• Molecular Formula: C8H9 F O
• Molecular Weight: 140.157
• Hs Code.: 2906299090
• European Community (EC) Number: 642-761-7
• DSSTox Substance ID: DTXSID50379117
• Wikidata: Q82168784
• Mol file: 22062-54-0.mol

Synonyms:5-Fluoro-2-methylbenzyl alcohol;22062-54-0;(5-fluoro-2-methylphenyl)methanol;MFCD01631527;Benzenemethanol,5-fluoro-2-methyl-;5-FLUORO-2-METHYLBENZYLALCOHOL;SCHEMBL698730;DTXSID50379117;AKOS005254317;PS-9037;5-fluoro-2-methylbenzyl alcohol, AldrichCPR;CS-0099316;E79096;EN300-1252137

Chemical Property of 5-Fluoro-2-methylbenzyl alcohol

Chemical Property:

• Vapor Pressure: 0.0812mmHg at 25°C
• Melting Point: 36-40℃
• Refractive Index: 1.518
• Boiling Point: 216.6°C at 760 mmHg
• PKA: 14.10±0.10(Predicted)
• Flash Point: 104.6°C
• PSA: 20.23000
• Density: 1.132g/cm³
• LogP: 1.62640
• 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

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

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5-Fluoro-2-methylbenzyl alcohol

There total 2 articles about 5-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: 92.5%

5-fluoro-2-methylbenzaldehyde (22062-53-9) → (5-fluoro-2-methylphenyl)methanol (22062-54-0)

Guidance literature:

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

DOI:10.1016/j.ejmech.2018.12.028

Reference yield:

4-fluoro-2-iodotoluene (13194-67-7) → (5-fluoro-2-methylphenyl)methanol (22062-54-0)

Guidance literature:

Multi-step reaction with 2 steps

2: LiAlH₄

With lithium aluminium tetrahydride;

DOI:10.1021/ja01026a027

Reference yield: 91.0%

(5-fluoro-2-methylphenyl)methanol (22062-54-0) + 2-amino-benzenethiol (137-07-5) → C14H10FNS (1338466-63-9)

Guidance literature:

With dimethyl sulfoxide; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; In ethyl acetate; at 0 - 25 ℃; for 3.5h; chemoselective reaction; Inert atmosphere;

DOI:10.1016/j.tetlet.2011.08.037

upstream raw materials:

5-fluoro-2-methylbenzaldehyde

4-fluoro-2-iodotoluene

Downstream raw materials:

2-(chloromethyl)-4-fluoro-1-methylbenzene

2,2'-Dimethyl-5,5'-difluor-trans-stilben

C₁₄H₁₀FNS

2-(bromomethyl)-4-fluoro-1-methylbenzene

Refernces