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771-16-4,MFCD09026918
Catalog No.:AA00G54E

771-16-4 | (+/-)-TRANS-1,2-DIHYDROXY-1,2-DIHYDRONAPHTHALENE

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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00G54E
Chemical Name:
(+/-)-TRANS-1,2-DIHYDROXY-1,2-DIHYDRONAPHTHALENE
CAS Number:
771-16-4
Molecular Formula:
C10H10O2
Molecular Weight:
162.1852
MDL Number:
MFCD09026918
SMILES:
C1=CC=C2C(C(C=CC2=C1)O)O
Properties
Properties
 
Form:
Solid  
MP:
95-98˚C (65˚C transition)  
Storage:
-20 ℃;  

Computed Properties
 
Complexity:
188  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
XLogP3:
0.8  

Literature

Title: Refined model of optical activity of cis-dihydrodiol metabolites: role of 1,3-diene conformation in the electronic circular dichroism spectra.

Journal: Chirality 20111001

Title: Chemoenzymatic synthesis of carbasugars (+)-pericosines A-C from diverse aromatic cis-dihydrodiol precursors.

Journal: Organic letters 20100521

Title: Time-dependent density functional theory-assisted absolute configuration determination of cis-dihydrodiol metabolite produced from isoflavone by biphenyl dioxygenase.

Journal: Analytical biochemistry 20100201

Title: Structures and thermodynamics of biphenyl dihydrodiol stereoisomers and their metabolites in the enzymatic degradation of arene xenobiotics.

Journal: Journal of computational chemistry 20091130

Title: Differential protection by human glutathione S-transferase P1 against cytotoxicity of benzo[a]pyrene, dibenzo[a,l]pyrene, or their dihydrodiol metabolites, in bi-transgenic cell lines that co-express rat versus human cytochrome P4501A1.

Journal: Chemico-biological interactions 20090515

Title: Circular dichroism spectra, optical rotations and absolute configurations of cis-dihydrodiol metabolites of quinoline and derivatives: the role of the nitrogen atom.

Journal: Chirality 20090101

Title: Azaarene cis-dihydrodiol-derived 2,2'-bipyridine ligands for asymmetric allylic oxidation and cyclopropanation.

Journal: Chemical communications (Cambridge, England) 20081121

Title: Determination of absolute configuration of conformationally flexible cis-dihydrodiol metabolites: effect of diene substitution pattern on the circular dichroism spectra and optical rotations.

Journal: Chirality 20080515

Title: syn-Benzene dioxides: chemoenzymatic synthesis from 2,3-cis-dihydrodiol derivatives of monosubstituted benzenes and their application in the synthesis of regioisomeric 1,2- and 3,4-cis-dihydrodiols and 1,4-dioxocins.

Journal: Organic & biomolecular chemistry 20070721

Title: Chemoenzymatic synthesis of trans-dihydrodiol derivatives of monosubstituted benzenes from the corresponding cis-dihydrodiol isomers.

Journal: Organic & biomolecular chemistry 20070207

Title: Purification and characterization of an arene cis-dihydrodiol dehydrogenase endowed with broad substrate specificity toward polycyclic aromatic hydrocarbon dihydrodiols.

Journal: Applied and environmental microbiology 20060701

Title: Chemoenzymatic synthesis of the trans-dihydrodiol isomers of monosubstituted benzenes via anti-benzene dioxides.

Journal: Organic & biomolecular chemistry 20060607

Title: Arene cis-dihydrodiol formation: from biology to application.

Journal: Organic & biomolecular chemistry 20060121

Title: In vitro metabolism of naphthalene by human liver microsomal cytochrome P450 enzymes.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20060101

Title: cis-Dihydrodiol, arene oxide and phenol metabolites of dictamnine: key intermediates in the biodegradation and biosynthesis of furoquinoline alkaloids.

Journal: Chemical communications (Cambridge, England) 20050821

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Tags:771-16-4 Molecular Formula|771-16-4 MDL|771-16-4 SMILES|771-16-4 (+/-)-TRANS-1,2-DIHYDROXY-1,2-DIHYDRONAPHTHALENE