2-Fluoro-4-(hydroxymethyl)phenol

Base Information

• Chemical Name: 2-Fluoro-4-(hydroxymethyl)phenol
• CAS No.: 96740-93-1
• Molecular Formula: C₇H₇FO₂
• Molecular Weight: 142.13
• Hs Code.: 2908190090
• European Community (EC) Number: 846-170-7
• DSSTox Substance ID: DTXSID401299208
• Mol file: 96740-93-1.mol

Synonyms:2-fluoro-4-(hydroxymethyl)phenol;96740-93-1;Benzenemethanol, 3-fluoro-4-hydroxy-;2-fluoro-4-hydroxymethylphenol;SCHEMBL1390780;3-Fluoro-4-hydroxybenzenemethanol;WDJLSXGVBBNQNJ-UHFFFAOYSA-N;DTXSID401299208;WDA74093;AKOS023096565;CS-0261960;FT-0765318;EN300-80660;E87722;Z385458838

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

Chemical Property:

• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 142.04300762
• Heavy Atom Count: 10
• Complexity: 108

Purity/Quality:

99% ^*data from raw suppliers

2-Fluoro-4-hydroxymethylphenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C=C1CO)F)O
• Uses: 2-Fluoro-4-hydroxymethylphenol is used in preparation of fused imidazopyrimidinones that act as Lp-LPA2 inhibitors and also used to synthesize bicyclic inhibitors of acety-CoA carboxylase inhibitors.

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

There total 5 articles about 2-Fluoro-4-(hydroxymethyl)phenol 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: 79.2%

3-fluoro-4-hydroxybenzaldehyde (405-05-0) → 3-fluoro-4-hydroxybenzyl alcohol (96740-93-1)

Guidance literature:

With sodium tetrahydroborate; In tetrahydrofuran; methanol; at 20 ℃; for 4h;

DOI:10.1016/j.ejmech.2021.114061

Reference yield: 36.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 2-fluorophenol (367-12-4) → 3-fluoro-4-hydroxybenzyl alcohol (96740-93-1)

Guidance literature:

With potassium hydroxide; In water; at 60 ℃; for 6h;

DOI:10.1002/hlca.19980810557

Reference yield:

2-fluorophenol (367-12-4) → 3-fluoro-4-hydroxybenzyl alcohol (96740-93-1)

Guidance literature:

With hydrogenchloride; In potassium hydroxide; ethyl acetate; Petroleum ether;

upstream raw materials:

formaldehyd

2-fluorophenol

3-fluoro-4-hydroxybenzoic acid

3-fluoro-4-hydroxybenzaldehyde

Downstream raw materials:

(2-fluoro-4-hydroxymethyl-phenoxy)-acetic acid ethyl ester

(1E,1Z)-2-[2-fluoro-4-(hydroxymethyl)phenoxy]-1-phenylethanone O-methyloxime

2-fluoro-4-(hydroxymethyl)phenyl propionate

5-((3-fluoro-4-hydroxy-benzyl)(4H-1,2,4-triazol-4-yl)amino)biphenyl-2-carbonitrile

Refernces

• 1、 -. "2,3-DIHYDROIMIDAZO[1 ,2-c] PYRIMIDIN-5(1 H)-ONE COMPOUNDS USE AS LP-PLA2 INHIBITORS". Paragraph 0178; 0697. . Retrieved 2014/07/08.
• 2、 Matysiak, Stefan,Fitznar, Hans-Peter,Schnell, Ralf,Pfleiderer, Wolfgang. "Acetals as New 2′-O-Protecting Functions for the Synthesis of Oligoribonucleotides: Synthesis of Uridine Building Blocks and Evaluation of Their Relative Acid Stability". . p. 1545 - 1566. Retrieved 2007/10/03.