127926-10-7

Basic information

• Product Name: (1R,2S)-7-methyl-1,2-dihydronaphthalene-1,2-diol
• Synonyms: (1R,2S)-7-methyl-1,2-dihydronaphthalene-1,2-diol
• CAS NO: 127926-10-7
• Molecular Formula: C11H12O2
• Molecular Weight: 176.21
• Mol File: 127926-10-7.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 339.9°Cat760mmHg
• Flash Point: 168.4°C
• Appearance: /
• Density: 1.26g/cm³
• Vapor Pressure: 3.45E-05mmHg at 25°C
• Refractive Index: 1.644
• CAS DataBase Reference: (1R,2S)-7-methyl-1,2-dihydronaphthalene-1,2-diol(CAS DataBase Reference)
• NIST Chemistry Reference: (1R,2S)-7-methyl-1,2-dihydronaphthalene-1,2-diol(127926-10-7)
• EPA Substance Registry System: (1R,2S)-7-methyl-1,2-dihydronaphthalene-1,2-diol(127926-10-7)

Safety Data

• Hazardous Substances Data: 127926-10-7(Hazardous Substances Data)

Usage

General Description

(1R,2S)-7-methyl-1,2-dihydronaphthalene-1,2-diol, also known as 7-Methyl-1,2-dihydro-1,2-naphthalenediol, is a chemical compound with the molecular formula C11H14O2. It is a derivative of naphthalene and features a diol functional group. (1R,2S)-7-methyl-1,2-dihydronaphthalene-1,2-diol is a chiral molecule, with the (1R,2S) designation indicating the configuration of its stereocenters. It is used in organic synthesis and can be found in various natural products. The compound has potential applications in the pharmaceutical and agrochemical industries, and its unique structure makes it an interesting target for chemical research and development. Additionally, its chirality makes it a valuable tool for the study of stereochemistry and chiral separation techniques.

InChI:InChI=1/C11H12O2/c1-7-2-3-8-4-5-10(12)11(13)9(8)6-7/h2-6,10-13H,1H3/t10-,11+/m0/s1

Upstream product

• 91-57-6 2-Methylnaphthalene 

Downstream Products

• 26593-50-0 7-methylnaphthalen-2-ol 
• 6939-33-9 7-methyl-1-naphthalenol 

Relevant articles and documents

Toluene dioxygenase-catalyzed synthesis of cis-dihydrodiol metabolites from 2-substituted naphthalene substrates: Assignments of absolute configurations and conformations from circular dichroism and optical rotation measurements

cis-Dihydrodiol metabolites have been isolated from naphthalene and six 2-substituted naphthalene substrates. Their structures and absolute configurations have been determined by a combination of calculated (TDDFT) and experimentally based circular dichroism (CD) and optical rotation (OR) methods. The inverse styrene helicity rule is shown to be incorrect for the interpretation of theCD spectra of cis-dihydrodiols. A striking conclusion is that CD spectra correlate directly with the helicity of the styrene chromophore: that is, the sign of the long-wavelength Cotton effect is identical with the sign of styrene torsion angle, whereas the OR sign is dependent on the absolute configuration of the allylic carbon atom. The results demonstrate that a predictive model previously used for the determination of preferred regio- and stereoselectivity associated with TDO-catalyzed cis-dihydroxylation of substituted benzene substrates can now be successfully extended to substituted naphthalene substrates.