3,4-Dihydroxybenzophenone

Base Information

• Chemical Name: 3,4-Dihydroxybenzophenone
• CAS No.: 10425-11-3
• Molecular Formula: C13H10O3
• Molecular Weight: 214.221
• Hs Code.: 29145090
• European Community (EC) Number: 439-460-6,600-547-0
• DSSTox Substance ID: DTXSID90146360
• Nikkaji Number: J81.505E
• Wikidata: Q72466506
• ChEMBL ID: CHEMBL2094324
• Mol file: 10425-11-3.mol

Synonyms:3,4-dihydroxybenzophenone

Chemical Property of 3,4-Dihydroxybenzophenone

Chemical Property:

• Appearance/Colour: White to off-white powder
• Vapor Pressure: 3.93E-08mmHg at 25°C
• Melting Point: 133 °C
• Refractive Index: 1.647
• Boiling Point: 433.8 °C at 760 mmHg
• PKA: 8.02±0.18(Predicted)
• Flash Point: 230.3 °C
• PSA: 57.53000
• Density: 1.302 g/cm³
• LogP: 2.32880
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 214.062994177
• Heavy Atom Count: 16
• Complexity: 246

Purity/Quality:

99% ^*data from raw suppliers

3,4-Dihydroxybenzophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 3,4-Dihydroxybenzophenone

There total 23 articles about 3,4-Dihydroxybenzophenone 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: 94.0%

(3,4-dihydro-2H-benzo[b]1,4-dioxepin-7-yl)(phenyl)methanone (147644-07-3) → 3,4-dihydroxybenzophenone (10425-11-3)

Guidance literature:

With aluminum (III) chloride; In benzene; for 1h; Reflux;

DOI:10.1055/s-0032-1318332

Reference yield: 92.0%

6-benzoyl-1,4-benzodioxin (110851-11-1) → 3,4-dihydroxybenzophenone (10425-11-3)

Guidance literature:

With ozone; In methanol; at -78 - 20 ℃;

DOI:10.1021/jo00234a020

Reference yield: 83.0%

benzene-1,2-diol (120-80-9,19481-10-8,37349-32-9) + benzoic acid (65-85-0,8013-63-6) → 3,4-dihydroxybenzophenone (10425-11-3)

Guidance literature:

benzoic acid; With trifluoromethylsulfonic anhydride; In nitromethane; at 20 - 60 ℃;

benzene-1,2-diol; In nitromethane; at 60 ℃; for 0.166667h; regiospecific reaction;

DOI:10.5012/bkcs.2011.32.5.1784

upstream raw materials:

o-phenylene dibenzoate

benzoyl chloride

benzene-1,2-diol

benzoic acid anhydride

Downstream raw materials:

N-[(3,4-Dihydroxy-phenyl)-phenyl-methyl]-formamide

3-hydroxy-4-methoxy-benzophenone

N,N,N',N'-3,4-bis-{[6-(3-aminomethyl-1-pyrazolyl)-pyridin-2-yl]-1H-pyrazol-3-yl-methoxy} benzophenone tetra(tert-butylacetate)

4-benzyloxy-3-(3-chloro-2-hydroxy-propoxy)-benzophenone

Refernces

• 1、 -. "Method for promoting iron-catalyzed oxidation of aromatic compound carbon - hydrogen bond to synthesize phenol by ligand". Paragraph 0084-0085; 0128. . Retrieved 2021/09/21.
• 2、 Huang, Wei-Bin,Guo, Ying,Jiang, Jian-An,Pan, Xian-Dao,Liao, Dao-Hua,Ji, Ya-Fei. "An efficient strategy for protecting dihydroxyl groups of catechols". supporting information. p. 741 - 746. Retrieved 2013/05/09.