Methyl 2-formyl-3-hydroxybenzoate

Base Information

• Chemical Name: Methyl 2-formyl-3-hydroxybenzoate
• CAS No.: 131524-43-1
• Molecular Formula: C9H8O4
• Molecular Weight: 180.16
• European Community (EC) Number: 888-907-5
• DSSTox Substance ID: DTXSID50563897
• Nikkaji Number: J371.636H
• Wikidata: Q82448401
• Mol file: 131524-43-1.mol

Synonyms:methyl 2-formyl-3-hydroxybenzoate;131524-43-1;MFCD22665932;Benzoic acid, 2-formyl-3-hydroxy-, methyl ester;SCHEMBL2949095;DTXSID50563897;HFDRLLQFITZSMY-UHFFFAOYSA-N;AMY19589;AT18068;SY214648;CS-0140945;EN300-268298;Z1511747729

Chemical Property of Methyl 2-formyl-3-hydroxybenzoate

Chemical Property:

• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 180.04225873
• Heavy Atom Count: 13
• Complexity: 202

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Methyl 2-formyl-3-hydroxybenzoate

There total 7 articles about Methyl 2-formyl-3-hydroxybenzoate 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: 85.0%

hexamethylenetetramine (100-97-0) + methyl 3-hydroxybenzoate (19438-10-9) → methyl 2-formyl-3-hydroxybenzoate (131524-43-1)

Guidance literature:

With trifluoroacetic acid; In trifluoroacetic acid; at 75 ℃; for 8h;

DOI:10.1002/ejoc.201300102

Reference yield: 40.0%

hexamethylenetetramine (100-97-0) + methyl 3-hydroxybenzoate (19438-10-9) → methyl 4-formyl-3-hydroxybenzoate (24589-98-8) + methyl 2-formyl-3-hydroxybenzoate (131524-43-1)

Guidance literature:

With PPA; at 100 ℃; for 0.75h;

DOI:10.1248/cpb.42.2170

Reference yield: 29.0%

C10H12O5 → methyl 2-formyl-3-hydroxybenzoate (131524-43-1)

Guidance literature:

In 5,5-dimethyl-1,3-cyclohexadiene; at 200 ℃; for 1h; Molecular sieve; Microwave irradiation; Inert atmosphere; Sealed vial;

DOI:10.1002/chem.201003532

upstream raw materials:

hexamethylenetetramine

methyl 3-hydroxybenzoate

trifluoroacetic acid

Downstream raw materials:

3-(4-hydroxy-1-oxo-1,3-dihydro-isoindol-2-yl)-piperidine-2,6-dione

4-hydroxy-3H-isobenzofuran-1-one

4-methyl-3H-isobenzofuran-1-one

methyl 2-benzoylbenzofuran-4-carboxylate