2-Methoxyresorcinol

Base Information

• Chemical Name: 2-Methoxyresorcinol
• CAS No.: 29267-67-2
• Molecular Formula: C7H8 O3
• Molecular Weight: 140.139
• Hs Code.: 2909500000
• European Community (EC) Number: 249-542-1
• UNII: 3UW7031F6P
• DSSTox Substance ID: DTXSID60183520
• Nikkaji Number: J250.811G
• Wikidata: Q27258054
• Metabolomics Workbench ID: 87220
• ChEMBL ID: CHEMBL485792
• Mol file: 29267-67-2.mol

Synonyms:2-O-methylpyrogallol;2-OMPY

Chemical Property of 2-Methoxyresorcinol

Chemical Property:

• Vapor Pressure: 0.00338mmHg at 25°C
• Melting Point: 86-88oC
• Refractive Index: 1.4850 (estimate)
• Boiling Point: 273.7°Cat760mmHg
• PKA: 9.45±0.10(Predicted)
• Flash Point: 119.3°C
• PSA: 49.69000
• Density: 1.27g/cm³
• LogP: 1.10640
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 140.047344113
• Heavy Atom Count: 10
• Complexity: 95

Purity/Quality:

98%min ^*data from raw suppliers

2-Methoxyresorcinol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC=C1O)O
• Uses: 2-Methoxyresorcinol (cas# 29267-67-2) is a compound useful in organic synthesis.

Technology Process of 2-Methoxyresorcinol

There total 11 articles about 2-Methoxyresorcinol 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: 100.0%

5-bromo-2-methoxybenzene-1,3-diol (133932-61-3) → 2-methoxyresorcinol (29267-67-2)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethyl acetate;

DOI:10.1021/jo00013a052

Reference yield: 68.0%

2-(phenylmethyl)-1,3-dihydroxybenzene (3769-40-2) → 2-methoxyresorcinol (29267-67-2)

Guidance literature:

With lithium hydroxide; In tetrahydrofuran; methanol; dichloromethane; water;

Reference yield: 52.0%

2-hydroxyresorcinol (87-66-1) + methyl iodide (74-88-4) → 2-methoxyresorcinol (29267-67-2)

Guidance literature:

With potassium hydrogencarbonate; In acetone; for 16h; Reflux;

DOI:10.1021/acs.jmedchem.1c00874

upstream raw materials:

dimethyl sulfate

2-hydroxyresorcinol

methyl iodide

5-bromo-2-methoxybenzene-1,3-diol

Downstream raw materials:

2-methoxy-3-(tetradecyloxy)phenol

2'-(difluoroboryloxy)-4'-hydroxy-3'-methoxychalcone

1,3-bis<(methoxycarbonyl)methoxy>-2-methoxybenzene

1-(2,4-dihydroxy-3-methoxyphenyl)ethan-1-one

Refernces

• 1、 Geenen, Sarah R.,Presser, Lysander,H?lzel, Torsten,Ganter, Christian,Müller, Thomas J. J.. "Electronic Finetuning of 8-Methoxy Psoralens by Palladium-Catalyzed Coupling: Acidochromicity and Solvatochromicity". supporting information. p. 8064 - 8075. Retrieved 2020/06/02.
• 2、 Sadamitsu, Yuta,Okumura, Akira,Saito, Kodai,Yamada, Tohru. "Kolbe-Schmitt type reaction under ambient conditions mediated by an organic base". supporting information. p. 9837 - 9840. Retrieved 2019/08/20.