4-Hydroxymethylsalicylic acid

Base Information

• Chemical Name: 4-Hydroxymethylsalicylic acid
• CAS No.: 106420-93-3
• Molecular Formula: C8H8 O4
• Molecular Weight: 168.149
• DSSTox Substance ID: DTXSID00349663
• Nikkaji Number: J2.787.883K
• Wikidata: Q27109298
• Metabolomics Workbench ID: 53752
• Mol file: 106420-93-3.mol

Synonyms:4-hydroxymethylsalicylic acid;106420-93-3;2-hydroxy-4-(hydroxymethyl)benzoic acid;4-Hydroxymethylsalicylate;2-Hydroxy-4-hydroxymethylbenzoic acid;4-hydroxymethyl-2-hydroxybenzoic acid;SCHEMBL1401513;CHEBI:20415;DTXSID00349663;2-hydroxy-4-(hydroxymethyl)benzoicacid;FT-0768439;Q27109298

Chemical Property of 4-Hydroxymethylsalicylic acid

Chemical Property:

• Vapor Pressure: 5.76E-07mmHg at 25°C
• Boiling Point: 395.5°C at 760 mmHg
• Flash Point: 207.2°C
• Density: 1.472g/cm³
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 168.04225873
• Heavy Atom Count: 12
• Complexity: 168

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1CO)O)C(=O)O

Technology Process of 4-Hydroxymethylsalicylic acid

There total 3 articles about 4-Hydroxymethylsalicylic 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: 90.0%

→ 2-hydroxy-4-(hydroxymethyl)benzoic acid (106420-93-3)

Guidance literature:

Reference yield:

carbon dioxide (124-38-9,18923-20-1) + 3-Hydroxybenzyl alcohol (620-24-6) → 2-hydroxy-4-(hydroxymethyl)benzoic acid (106420-93-3)

Guidance literature:

carbon dioxide; 3-Hydroxybenzyl alcohol; With potassium carbonate; at 150 ℃; for 18h; under 77574.3 - 103432 Torr;

With hydrogenchloride; In water; pH=1;

Reference yield:

3-Hydroxybenzyl alcohol (620-24-6) + potassium hydrogencarbonate (298-14-6) → 2-hydroxy-4-(hydroxymethyl)benzoic acid (106420-93-3)

Guidance literature:

With salicylic acid decarboxylase from Trichosporon moniliiforme; In aq. phosphate buffer; at 30 ℃; for 24h; regioselective reaction; Enzymatic reaction;

DOI:10.1039/c3ra47719c

upstream raw materials:

carbon dioxide

3-Hydroxybenzyl alcohol

potassium hydrogencarbonate