2-(Hydroxymethyl)benzoic acid

Base Information

• Chemical Name: 2-(Hydroxymethyl)benzoic acid
• CAS No.: 612-20-4
• Molecular Formula: C8H8O3
• Molecular Weight: 152.15
• Hs Code.: 2918199090
• European Community (EC) Number: 210-298-6
• NSC Number: 30638
• UNII: KJ3Z1IJ8O3
• DSSTox Substance ID: DTXSID30210099
• Nikkaji Number: J94.842J
• Wikidata: Q27282279
• Metabolomics Workbench ID: 45635
• Mol file: 612-20-4.mol

Synonyms:2-(HYDROXYMETHYL)BENZOIC ACID;612-20-4;Benzoic acid, 2-(hydroxymethyl)-;o-Toluic acid, .alpha.-hydroxy-;2-Hydroxymethylbenzoic acid;alpha-Hydroxy-o-toluic acid;2-hydroxymethyl benzoic acid;2-Hydroxymethyl-benzoic acid;.alpha.-Hydroxy-o-toluic acid;2-carboxybenzyl alcohol;UNII-KJ3Z1IJ8O3;KJ3Z1IJ8O3;2-(hydroxymethyl)-benzoic acid;EINECS 210-298-6;MFCD02151998;NSC 30638;NSC-30638;o-(Hydroxymethyl)benzoic acid;Oxytoluylsaure;2-Hydroxymethyl-Benozoic acid;2-methylolbenzoic acid;O-CARBOXYBENZYL ALCOHOL;SCHEMBL374696;o-Toluic acid, alpha-hydroxy-;a-Hydroxy-O-toluic acid, 8CI;Benzyl alcohol 2-carboxylic acid;DTXSID30210099;AMY30363;BCP34335;NSC30638;2-(HYDROXYMETHYL)BENZOICACID;AB9435;BBL018811;O-(HYDROXYMETHYL)BENZOIC ACID;STK039568;AKOS005382901;HY-W019358;o-Toluic acid, alpha-hydroxy- (8CI);AS-10111;SY117339;Benzoic acid, 2-(hydroxymethyl)- (9CI);CS-0028786;EN300-68822;A913481;Q27282279;Z425446262

Chemical Property of 2-(Hydroxymethyl)benzoic acid

Chemical Property:

• Vapor Pressure: 5.26E-05mmHg at 25°C
• Melting Point: 139.5-140.5 °C
• Boiling Point: 333.9°Cat760mmHg
• PKA: 3.84±0.10(Predicted)
• Flash Point: 169.9°C
• PSA: 57.53000
• Density: 1.314g/cm³
• LogP: 0.87710
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 152.047344113
• Heavy Atom Count: 11
• Complexity: 144

Purity/Quality:

99% ^*data from raw suppliers

2-(hydroxymethyl)benzoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(Hydroxymethyl)benzoic acid

There total 27 articles about 2-(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: 95.0%

Monomethyl phthalate (4376-18-5) → 2-(hydroxymethyl)benzoic acid (612-20-4)

Guidance literature:

With sodium tetrahydroborate; In 1,4-dioxane; water; for 12h; Ambient temperature;

Reference yield: 91.0%

2-benzofuran-1(3H)-one (87-41-2) → 2-(hydroxymethyl)benzoic acid (612-20-4)

Guidance literature:

With potassium hydroxide; In methanol; water; for 2h; Heating;

DOI:10.1016/S0040-4039(97)01617-1

Reference yield: 85.0%

phthalyl alcohol (612-14-6) → 2-(hydroxymethyl)benzoic acid (612-20-4) + benzene-1,2-dicarboxylic acid (88-99-3,73607-73-5)

Guidance literature:

With tert.-butylhydroperoxide; copper(l) chloride; In decane; acetonitrile; at 20 ℃; for 6h;

DOI:10.1016/j.tetlet.2008.02.031

upstream raw materials:

2-benzofuran-1(3H)-one

ethanol

2-(bromomethyl)benzoic acid

o-carboxybenzaldehyde

Downstream raw materials:

2-benzofuran-1(3H)-one

2-(((tert-butyldiphenylsilyl)oxy)methyl)benzoic acid

2-<(tert-butyldiphenylsilyloxy)methyl>benzoyl chloride

methyl 2-(methoxymethyl)benzoate

Refernces

• 1、 -. "COMPOUNDS". Page/Page column 84. . Retrieved 2020/01/24.
• 2、 -. "Method for synthesizing 3 - n -butyl - l (3H)-isobenzofuranone (by machine translation)". Paragraph 0046-0049. . Retrieved 2020/07/24.