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(R)-8-HYDROXY-3-METHYL-1,2,3,4-TETRAHYDROBENZ[A]ANTHRACENE-7,12-DIONE, also known as (R)-8-Hydroxy-3-methyl-1,2,3,4-tetrahydrobenz[a]anthracene-7,12-dione (CAS# 681001-30-9), is a yellow solid compound with significant utility in the field of organic synthesis. Its unique chemical structure and properties make it a valuable component for creating various complex organic molecules and compounds.

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  • (R)-8-HYDROXY-3-METHYL-1,2,3,4-TETRAHYDROBENZ[A]ANTHRACENE-7,12-DIONE

    Cas No: 681001-30-9

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  • 681001-30-9 Structure
  • Basic information

    1. Product Name: (R)-8-HYDROXY-3-METHYL-1,2,3,4-TETRAHYDROBENZ[A]ANTHRACENE-7,12-DIONE
    2. Synonyms: (R)-8-HYDROXY-3-METHYL-1,2,3,4-TETRAHYDROBENZ[A]ANTHRACENE-7,12-DIONE;(R)-1,2,3,4-Tetrahydro-8-hydroxy-3-methyltetraphene-7,12-dione
    3. CAS NO:681001-30-9
    4. Molecular Formula: C19H16O3
    5. Molecular Weight: 292.32854
    6. EINECS: N/A
    7. Product Categories: Aromatics Compounds;Aromatics;Chiral Reagents
    8. Mol File: 681001-30-9.mol
  • Chemical Properties

    1. Melting Point: 162°C
    2. Boiling Point: 525.9°C at 760 mmHg
    3. Flash Point: 285.9°C
    4. Appearance: /
    5. Density: 1.303g/cm3
    6. Vapor Pressure: 1.12E-11mmHg at 25°C
    7. Refractive Index: 1.652
    8. Storage Temp.: Refrigerator
    9. Solubility: Chloroform (Slightly),Methanol (Slightly)
    10. PKA: 6.81±0.40(Predicted)
    11. CAS DataBase Reference: (R)-8-HYDROXY-3-METHYL-1,2,3,4-TETRAHYDROBENZ[A]ANTHRACENE-7,12-DIONE(CAS DataBase Reference)
    12. NIST Chemistry Reference: (R)-8-HYDROXY-3-METHYL-1,2,3,4-TETRAHYDROBENZ[A]ANTHRACENE-7,12-DIONE(681001-30-9)
    13. EPA Substance Registry System: (R)-8-HYDROXY-3-METHYL-1,2,3,4-TETRAHYDROBENZ[A]ANTHRACENE-7,12-DIONE(681001-30-9)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 681001-30-9(Hazardous Substances Data)

681001-30-9 Usage

Uses

Used in Organic Synthesis:
(R)-8-HYDROXY-3-METHYL-1,2,3,4-TETRAHYDROBENZ[A]ANTHRACENE-7,12-DIONE is used as a key intermediate in the synthesis of complex organic molecules. Its chemical properties and structure allow it to be a versatile building block for the development of new compounds with potential applications in various industries, such as pharmaceuticals, agrochemicals, and materials science.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, (R)-8-HYDROXY-3-METHYL-1,2,3,4-TETRAHYDROBENZ[A]ANTHRACENE-7,12-DIONE is used as a starting material for the development of novel drugs. Its unique chemical properties enable the creation of new drug candidates with potential therapeutic applications, including the treatment of various diseases and medical conditions.
Used in Agrochemical Industry:
(R)-8-HYDROXY-3-METHYL-1,2,3,4-TETRAHYDROBENZ[A]ANTHRACENE-7,12-DIONE is also utilized in the agrochemical industry for the synthesis of new pesticides, herbicides, and other crop protection agents. Its chemical structure can be manipulated to create compounds with enhanced efficacy and selectivity, leading to improved agricultural productivity and crop protection.
Used in Materials Science:
In the field of materials science, (R)-8-HYDROXY-3-METHYL-1,2,3,4-TETRAHYDROBENZ[A]ANTHRACENE-7,12-DIONE is employed in the development of advanced materials with unique properties. Its incorporation into the synthesis process can lead to the creation of new materials with improved performance characteristics, such as enhanced stability, durability, and functionality.

Check Digit Verification of cas no

The CAS Registry Mumber 681001-30-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 6,8,1,0,0 and 1 respectively; the second part has 2 digits, 3 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 681001-30:
(8*6)+(7*8)+(6*1)+(5*0)+(4*0)+(3*1)+(2*3)+(1*0)=119
119 % 10 = 9
So 681001-30-9 is a valid CAS Registry Number.
InChI:InChI=1/C19H16O3/c1-10-5-7-12-11(9-10)6-8-14-16(12)18(21)13-3-2-4-15(20)17(13)19(14)22/h2-4,6,8,10,20H,5,7,9H2,1H3/t10-/m1/s1

681001-30-9SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name (3R)-8-hydroxy-3-methyl-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-dione

1.2 Other means of identification

Product number -
Other names -

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:681001-30-9 SDS

681001-30-9Relevant articles and documents

Angucyclinone antibiotics: Total syntheses of YM-181741, (+)-ochromycinone, (+)-rubiginone B2, (-)-tetrangomycin, and MM-47755

Kaliappan, Krishna P.,Ravikumar, Velayutham

, p. 6116 - 6126 (2008/02/10)

(Chemical Equation Presented) A concise and highly enantioselective route has been developed for the synthesis of angucyclinone-type natural products. Utilizing this strategy, total syntheses of five natural products YM-181741, (+)-ochromycinone, (+)-rubi

A facile synthesis of the angucyclinone antibiotic (+)-rubiginone B 2 involving the BF3-mediated Diels-Alder reaction of juglone

Motoyoshiya, Jiro,Masue, Yusuke,Iwayama, Gento,Yoshioka, Sachiko,Nishii, Yoshinori,Aoyama, Hiromu

, p. 2099 - 2102 (2007/10/03)

A short synthesis of (+)-rubiginone B2 is reported. The BF 3-mediated Diels-Alder reaction of juglone and (R)-3-methyl-1- vinylcyclohexene followed by aromatization gave the anthraquinone as the desired regioisomer, which was converted into the target antibiotic after a two-step operation.

Total synthesis of Angucyclines. Part 18: A short and efficient synthesis of (+)-ochromycinone

Krohn, Karsten,Sohrab, Md. Hossain,Floerke, Ulrich

, p. 713 - 718 (2007/10/03)

A short and highly enantiospecific (seven steps, 99% ee) synthesis of (+)-ochromycinone 2 in 19% overall yield is reported. Key steps are the regioselective Diels-Alder reaction of the juglone derivative 4 with the mixture of dienes 5 and 9 derived from 3-methylcyclohexanone (99% ee) and the photooxidation of 1-deoxyochromycinone 3 to the natural ketone 2. A pronounced concentration dependence of the specific rotation was observed for (+)-ochromycinone 2 in CHCl3.

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