2-fluoro-3-(hydroxymethyl)benzoic Acid

Base Information

• Chemical Name: 2-fluoro-3-(hydroxymethyl)benzoic Acid
• CAS No.: 481075-37-0
• Molecular Formula: C8H7FO3
• Molecular Weight: 170.14
• Hs Code.: 2918199090
• DSSTox Substance ID: DTXSID70379058
• Nikkaji Number: J1.800.036I
• Wikidata: Q82168724
• Mol file: 481075-37-0.mol

Synonyms:2-fluoro-3-(hydroxymethyl)benzoic Acid;481075-37-0;2-Fluoro-3-(hydoxymethyl)benzoic acid;2-Fluoro-3-hydroxymethyl-benzoic acid;SCHEMBL1401459;DTXSID70379058;VZUWHOMAXWKXOF-UHFFFAOYSA-N;MFCD01862008;2-Fluoro-3-Hydroxymethylbenzoic Acid;2-fluoro-3-(hydroxymethyl)benzoicAcid;AKOS006229016;AS-33133;CS-0317735;FT-0754344;A827471;J-509356

Chemical Property of 2-fluoro-3-(hydroxymethyl)benzoic Acid

Chemical Property:

• Boiling Point: 346.6 °C at 760 mmHg
• PKA: 3.27±0.10(Predicted)
• Flash Point: 163.4 °C
• PSA: 57.53000
• Density: 1.417 g/cm³
• LogP: 1.01620
• Storage Temp.: 2-8°C
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 170.03792224
• Heavy Atom Count: 12
• Complexity: 172

Purity/Quality:

97% ^*data from raw suppliers

2-?Fluoro-?3-?(hydroxymethyl)?benzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)C(=O)O)F)CO
• Uses: 2-?Fluoro-?3-?(hydroxymethyl)?benzoic Acid is a reagent used in the preparation of novel colchicine-derived immunosuppressants.

Technology Process of 2-fluoro-3-(hydroxymethyl)benzoic Acid

There total 9 articles about 2-fluoro-3-(hydroxymethyl)benzoic Acid 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: 93.6%

(2-fluoro-3-(hydroxymethyl)phenyl)(piperidine-1-yl)methanone (1260236-45-0) → 2-fluoro-3-(hydroxymethyl)benzoic acid (481075-37-0)

Guidance literature:

(2-fluoro-3-(hydroxymethyl)phenyl)(piperidine-1-yl)methanone; With water; sodium hydroxide; for 40h; Reflux;

With hydrogenchloride; In water; at 0 ℃; pH=2;

Reference yield: 88.0%

methyl 2-fluoro-3-(hydroxymethyl)benzoate (816449-66-8) → 2-fluoro-3-(hydroxymethyl)benzoic acid (481075-37-0)

Guidance literature:

methyl 2-fluoro-3-(hydroxymethyl)benzoate; With sodium hydroxide; In methanol; water; at 20 ℃; for 1h;

With hydrogenchloride; In methanol; water; pH=3;

Reference yield: 36.0%

carbon dioxide (124-38-9,18923-20-1) + 1-fluoro-2-[(methoxymethoxy)methyl]benzene → 2-fluoro-3-(hydroxymethyl)benzoic acid (481075-37-0)

Guidance literature:

1-fluoro-2-[(methoxymethoxy)methyl]benzene; With N,N,N',N'',N'''-pentamethyldiethylenetriamine; sec.-butyllithium; In tetrahydrofuran; cyclohexane; at -75 ℃; for 2h;

carbon dioxide; In tetrahydrofuran; cyclohexane; Further stages.;

DOI:10.1002/1099-0690(200208)2002:15<2508::AID-EJOC2508>3.0.CO;2-C

upstream raw materials:

carbon dioxide

2-fluorobenzyl alcohol

methyl 2-fluoro-3-(hydroxymethyl)benzoate

methyl 3-(bromomethyl)-2-fluorobenzoate

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