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131-53-3,MFCD00002218
Catalog No.:AA000V7G

131-53-3 | 2,2'-Dihydroxy-4-methoxybenzophenone

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5g
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100g
99%(GC)
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA000V7G
Chemical Name:
2,2'-Dihydroxy-4-methoxybenzophenone
CAS Number:
131-53-3
Molecular Formula:
C14H12O4
Molecular Weight:
244.2427
MDL Number:
MFCD00002218
SMILES:
COc1ccc(c(c1)O)C(=O)c1ccccc1O
Properties
Computed Properties
 
Complexity:
292  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
3  
XLogP3:
3.3  

Downstream Synthesis Route

[1]VanAllan[JournalofOrganicChemistry,1958,vol.23,p.1679,1682]

[1]CurrentPatentAssignee:PFIZERINC-US2853521,1956,A

103-82-2    917-64-6    131-53-3   
(Z,E)-4-(2-hydroxy-4-methoxyphenyl)-4-(2'-hydroxyphenyl)-2-methyl-3-phenylbut-3-en-2-ol 

[1]Sharma,Indra;Salman,M.;Koley,P.L.;Ray,Suprabhat[IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,1984,vol.23,#6,p.567-570]

[1]Sharma,Indra;Salman,M.;Koley,P.L.;Ray,Suprabhat[IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,1984,vol.23,#6,p.567-570]

[1]Han;Bontems;Hegyes;Munson;Minor;Kates;Albericio;Barany[JournalofOrganicChemistry,1996,vol.61,#18,p.6326-6339]

Literature

Title: Agonistic effects of diverse xenobiotics on the constitutive androstane receptor as detected in a recombinant yeast-cell assay.

Journal: Toxicology in vitro : an international journal published in association with BIBRA 20180201

Title: Human sex hormone-binding globulin binding affinities of 125 structurally diverse chemicals and comparison with their binding to androgen receptor, estrogen receptor, and α-fetoprotein.

Journal: Toxicological sciences : an official journal of the Society of Toxicology 20150201

Title: Rat α-Fetoprotein binding affinities of a large set of structurally diverse chemicals elucidated the relationships between structures and binding affinities.

Journal: Chemical research in toxicology 20121119

Title: Using functional signatures to identify repositioned drugs for breast, myelogenous leukemia and prostate cancer.

Journal: PLoS computational biology 20120201

Title: Synthesis and biological evaluation of novel N,N'-bis-methylenedioxybenzyl-alkylenediamines as bivalent anti-Alzheimer disease ligands.

Journal: Journal of enzyme inhibition and medicinal chemistry 20111001

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Determination of hydroxylated benzophenone UV filters in sea water samples by dispersive liquid-liquid microextraction followed by gas chromatography-mass spectrometry.

Journal: Journal of chromatography. A 20100716

Title: Sensitive determination of salicylate and benzophenone type UV filters in water samples using solid-phase microextraction, derivatization and gas chromatography tandem mass spectrometry.

Journal: Analytica chimica acta 20090406

Title: Toxicokinetics and metabolisms of benzophenone-type UV filters in rats.

Journal: Toxicology 20080627

Title: Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.

Journal: Journal of molecular graphics & modelling 20061101

Title: Simultaneous determination of benzophenone-type UV filters in water and soil by gas chromatography-mass spectrometry.

Journal: Journal of chromatography. A 20061027

Title: Activity related to the carcinogenicity of plastic additives in the benzophenone group.

Journal: Journal of UOEH 20060601

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

Title: Estrogenic activities of chemicals related to food contact plastics and rubbers tested by the yeast two-hybrid assay.

Journal: Food additives and contaminants 20060401

Title: [Estrogenic activity of ultraviolet absorbers and the related compounds].

Journal: Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan 20050801

Title: Structure-activity relationships for a large diverse set of natural, synthetic, and environmental estrogens.

Journal: Chemical research in toxicology 20010301

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