4-[(3,4-Dihydroxyphenyl)methyl]benzene-1,2-diol

Base Information

• Chemical Name: 4-[(3,4-Dihydroxyphenyl)methyl]benzene-1,2-diol
• CAS No.: 14235-78-0
• Molecular Formula: C13H12O4
• Molecular Weight: 232.236
• DSSTox Substance ID: DTXSID30434935
• Nikkaji Number: J166.869B
• Wikidata: Q82249541
• Metabolomics Workbench ID: 129656
• ChEMBL ID: CHEMBL253691
• Mol file: 14235-78-0.mol

Synonyms:4,4'-Methylenebispyrocatechol;14235-78-0;4-[(3,4-dihydroxyphenyl)methyl]benzene-1,2-diol;CHEMBL253691;SCHEMBL108093;bis(3,4-dihydroxyphenyl)methane;DTXSID30434935;BDBM50386171

Chemical Property of 4-[(3,4-Dihydroxyphenyl)methyl]benzene-1,2-diol

Chemical Property:

• PSA: 80.92000
• LogP: 2.09980
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 232.07355886
• Heavy Atom Count: 17
• Complexity: 222

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1CC2=CC(=C(C=C2)O)O)O)O

Technology Process of 4-[(3,4-Dihydroxyphenyl)methyl]benzene-1,2-diol

There total 9 articles about 4-[(3,4-Dihydroxyphenyl)methyl]benzene-1,2-diol 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: 93.0%

bis(3,4-dimethoxyphenyl)methane (1158-27-6) → 4,4'-methylenedibenzen-1,2-diol (14235-78-0)

Guidance literature:

With boron tribromide; In dichloromethane; at 20 ℃; for 4h; Cooling with ice;

DOI:10.1016/j.bmcl.2012.02.074

Reference yield: 64.0%

bis(3,4-methylenedioxyphenyl)methane (4971-68-0) → 4,4'-methylenedibenzen-1,2-diol (14235-78-0)

Guidance literature:

With boron tribromide; In dichloromethane; at 20 ℃;

DOI:10.1016/j.bmcl.2008.11.089

Reference yield: 41.0%

bis-(4-hydroxyphenyl)methane (620-92-8) → 4-[(4-hydroxyphenyl)methyl]-1,2-benzenediol (91903-21-8) + 4,4'-methylenedibenzen-1,2-diol (14235-78-0)

Guidance literature:

With oxygen; ascorbic acid; In water; acetonitrile; at 20 ℃; for 24h; pH=7; Na-phosphate buffer; Enzymatic reaction;

DOI:10.1016/j.bmc.2011.11.018

upstream raw materials:

bis(3,4-dimethoxyphenyl)methane

formaldehyd

benzene-1,2-diol

bis(3,4-methylenedioxyphenyl)methane

Downstream raw materials:

2-chloro-3',4,4',5-tetrahydroxydiphenylmethane

2,2'-dichloro-4,4',5,5'-tetrahydroxydiphenylmethane

2,2',3-trichloro-4,4',5,5'-tetrahydroxydiphenylmethane

2,2',3,3'-tetrachloro-4,4',5,5'-tetrahydroxydiphenylmethane