4-METHOXYRESORCINOL

Base Information

• Chemical Name: 4-METHOXYRESORCINOL
• CAS No.: 6100-60-3
• Molecular Formula: C7H8O3
• Molecular Weight: 140.139
• Hs Code.: 2909500000
• European Community (EC) Number: 813-306-1
• DSSTox Substance ID: DTXSID20209871
• Nikkaji Number: J741.411K
• Wikidata: Q83084332
• Mol file: 6100-60-3.mol

Synonyms:Resorcinol,4-methoxy- (6CI,7CI,8CI);2,4-Dihydroxyanisole;3-Hydroxy-4-methoxyphenol;4-Methoxyresorcinol;

Chemical Property of 4-METHOXYRESORCINOL

Chemical Property:

• Vapor Pressure: 0.00209mmHg at 25°C
• Melting Point: 66 °C
• Refractive Index: 1.579
• Boiling Point: 281.5 °C at 760 mmHg
• PKA: 9.76±0.10(Predicted)
• Flash Point: 124 °C
• PSA: 49.69000
• Density: 1.27 g/cm³
• LogP: 1.10640
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 140.047344113
• Heavy Atom Count: 10
• Complexity: 105

Purity/Quality:

99.0% ^*data from raw suppliers

4-Methoxyresorcinol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)O)O
• Uses: 4-Methoxyresorcinol (cas# 6100-60-3) is a compound useful in organic synthesis.

Technology Process of 4-METHOXYRESORCINOL

There total 20 articles about 4-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: 99.0%

3,4-dimethoxyphenol (2033-89-8) → 4-methoxybenzene-1,3-diol (6100-60-3)

Guidance literature:

With orcinol; Acetobacterium dehalogenans veratrol-O-demethylase; Desulfitobacterium hafniense methyltransferase dhaf4611; In aq. buffer; at 35 ℃; for 24h; pH=6.5; regioselective reaction; Inert atmosphere; Enzymatic reaction;

DOI:10.1021/acscatal.0c02790

Reference yield: 99.0%

3-acetoxy-4-methoxyphenol (99179-72-3) → 4-methoxybenzene-1,3-diol (6100-60-3)

Guidance literature:

With ammonium hydroxide; In methanol; for 2h; Ambient temperature;

Reference yield: 79.0%

isovanillin (621-59-0) → 4-methoxybenzene-1,3-diol (6100-60-3)

Guidance literature:

With magnesium bis(monoperoxyphthalate)hexahydrate; In methanol; water; at 15 - 20 ℃; for 24h;

DOI:10.1002/ejoc.201200506

upstream raw materials:

3-acetoxy-4-methoxyphenol

2,5-dimethoxyphenol

3-hydroxy-4-methoxyphenyl formate

2,4-bis(benzyloxy)-1-methoxybenzene

Downstream raw materials:

2,4-diacetoxy-1-methoxy-benzene

1-(2,4-dihydroxy-5-methoxyphenyl)ethan-1-one

2,4-dihydroxy-5-methoxyphenyl 2,3,4-trimethoxybenzyl ketone

7-hydroxy-6-methoxy-2H-1-benzopyran-2-one

Refernces

• 1、 Grimm, Christopher,Lazzarotto, Mattia,Pompei, Simona,Schichler, Johanna,Richter, Nina,Farnberger, Judith E.,Fuchs, Michael,Kroutil, Wolfgang. "Oxygen-Free Regioselective Biocatalytic Demethylation of Methyl-phenyl Ethers via Methyltransfer Employing Veratrol- O-demethylase". . p. 10375 - 10380. Retrieved 2020/10/02.
• 2、 -. "IRE-1α INHIBITORS". Paragraph 1095; 1096; 1097. . Retrieved 2016/10/07.