Methyl 2,6-dihydroxybenzoate

Base Information

• Chemical Name: Methyl 2,6-dihydroxybenzoate
• CAS No.: 2150-45-0
• Molecular Formula: C8H8O4
• Molecular Weight: 168.149
• Hs Code.: 29182900
• European Community (EC) Number: 624-891-6
• DSSTox Substance ID: DTXSID40334174
• Nikkaji Number: J125.932F
• Wikidata: Q72490158
• Pharos Ligand ID: Z5YZTQ8U6PQL
• ChEMBL ID: CHEMBL2333586
• Mol file: 2150-45-0.mol

Synonyms:Methyl 2,6-dihydroxybenzoate;2150-45-0;2,6-Dihydroxybenzoic acid methyl ester;Benzoic acid, 2,6-dihydroxy-, methyl ester;.gamma.-Resorcylic acid, methyl ester;CHEMBL2333586;MFCD00059619;Methyl2,6-dihydroxybenzoate;SCHEMBL1519936;methyl (2,6-dihydroxy)benzoate;DTXSID40334174;CHEBI:192874;gamma-Resorcylic Acid Methyl Ester;AMY18433;BDBM50428397;Methyl 2,6-dihydroxybenzoate, 97%;METHYL-2,6-DIHYDROXYBENZOATE;AKOS015890821;CS-W001154;HY-W001154;2,6-Dihydroxybenzoic acid, methyl ester;SY017982;TS-02272;D1461;FT-0610666;EN300-215517;A815429;J-014112

Chemical Property of Methyl 2,6-dihydroxybenzoate

Chemical Property:

• Vapor Pressure: 0.0113mmHg at 25°C
• Melting Point: 67-70 °C(lit.)
• Boiling Point: 253.6°Cat760mmHg
• PKA: 9.24±0.10(Predicted)
• Flash Point: 101.1°C
• PSA: 66.76000
• Density: 1.354g/cm³
• LogP: 0.88440
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: Acetone (Slightly), Methanol (Slightly)
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 168.04225873
• Heavy Atom Count: 12
• Complexity: 158

Purity/Quality:

98%,99%, ^*data from raw suppliers

3,5-Dihydroxybenzoic Acid Methyl Ester ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39-36

MSDS Files:

Useful:

• Canonical SMILES: COC(=O)C1=C(C=CC=C1O)O
• Uses: Methyl 2,6-dihydroxybenzoate may be used for the preparation of methyl 2-hydroxy-6-methoxybenzoate and oxamyl propionic acid.

Technology Process of Methyl 2,6-dihydroxybenzoate

There total 13 articles about Methyl 2,6-dihydroxybenzoate 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: 99.0%

2‐(methoxycarbonyl)‐1,3‐phenylene diacetate (124479-80-7) → methyl 2,6-dihydroxybenzoate (2150-45-0)

Guidance literature:

silica gel; toluene-4-sulfonic acid; In water; toluene; at 80 ℃; for 6h;

DOI:10.1055/s-1989-27277

Reference yield: 98.0%

2,6-bis(benzyloxy)benzoic acid methyl ester (25983-51-1) → methyl 2,6-dihydroxybenzoate (2150-45-0)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethyl acetate; for 0.5h;

DOI:10.1271/bbb.67.2240

Reference yield: 98.0%

diazomethane (186581-53-3,908094-01-9,334-88-3) + 2,6-Dihydroxybenzoic acid (303-07-1) → methyl 2,6-dihydroxybenzoate (2150-45-0)

Guidance literature:

In tetrahydrofuran; Ambient temperature;

DOI:10.1246/bcsj.64.3005

upstream raw materials:

methanol

2,6-Dihydroxybenzoic acid

diazomethane

4-methylpyoluteorin O,O-diacetate

Downstream raw materials:

2‐(methoxycarbonyl)‐1,3‐phenylene diacetate

3-acetyl-2,6-dihydroxy-benzoic acid methyl ester

2,6-bis-(tetra-O-acetyl-β-D-glucopyranosyloxy)-benzoic acid methyl ester

Methyl 2,6-di(3-bromopropoxy)benzoate

Refernces

• 1、 Crans, Debbie C.,Dong, Yaqiong,Feng, Bo,Shang, Bing,Yang, Xiaoda,Zhang, Bowen. "Convergent Protein Phosphatase Inhibitor Design for PTP1B and TCPTP: Exchangeable Vanadium Coordination Complexes on Graphene Quantum Dots". . . Retrieved 2021/11/03.
• 2、 Afonso, Carlos M. M.,Azevedo, Carlos M. G.,Bousbaa, Hassan,Ferreira, Helena,Henriques, Ana,Loureiro, Daniela R. P.,Magalh?es, álvaro F.,Neves, Nuno,Pinto, Joana,Pinto, Madalena M. M.,Reis, Salette,Soares, José X.,Vieira, Sara. "Yicathins B and C and Analogues: Total Synthesis, Lipophilicity and Biological Activities". supporting information. . Retrieved 2020/04/17.