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CAS

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221368-54-3

(5r,11r)-5,11-diethyl-5,6,11,12-tetrahydro-2,8-chrysenediol is a chrysene derivative with the molecular formula C22H26O2 and a molecular weight of 322.44 g/mol. It is a diol, containing two hydroxyl groups at positions 5 and 11, and two ethyl groups at the same positions. As a tetrahydro derivative of chrysene, a polycyclic aromatic hydrocarbon, it exhibits unique chemical properties and structure.

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  • 221368-54-3 Structure

  • Basic information

    1. Product Name: (5r,11r)-5,11-diethyl-5,6,11,12-tetrahydro-2,8-chrysenediol
    2. Synonyms: R,R-THC
    3. CAS NO:221368-54-3
    4. Molecular Formula: C22H24O2
    5. Molecular Weight: 320.42
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 221368-54-3.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: 2-8°C
    8. Solubility: N/A
    9. CAS DataBase Reference: (5r,11r)-5,11-diethyl-5,6,11,12-tetrahydro-2,8-chrysenediol(CAS DataBase Reference)
    10. NIST Chemistry Reference: (5r,11r)-5,11-diethyl-5,6,11,12-tetrahydro-2,8-chrysenediol(221368-54-3)
    11. EPA Substance Registry System: (5r,11r)-5,11-diethyl-5,6,11,12-tetrahydro-2,8-chrysenediol(221368-54-3)

  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: 22-24/25
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 221368-54-3(Hazardous Substances Data)

221368-54-3 Usage

Uses

Used in Pharmaceutical Applications:
(5r,11r)-5,11-diethyl-5,6,11,12-tetrahydro-2,8-chrysenediol is used as a pharmaceutical compound for its potential therapeutic effects. Its unique chemical structure and properties may contribute to the development of new drugs and treatments.
Used in Research and Development:
(5r,11r)-5,11-diethyl-5,6,11,12-tetrahydro-2,8-chrysenediol is utilized in research and development settings to explore its chemical properties and potential applications. Its distinctive structure may offer insights into the design and synthesis of novel compounds for various industries.

Check Digit Verification of cas no

The CAS Registry Mumber 221368-54-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 2,2,1,3,6 and 8 respectively; the second part has 2 digits, 5 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 221368-54:
(8*2)+(7*2)+(6*1)+(5*3)+(4*6)+(3*8)+(2*5)+(1*4)=113
113 % 10 = 3
So 221368-54-3 is a valid CAS Registry Number.

221368-54-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name (R,R)-THC

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:221368-54-3 SDS

221368-54-3Downstream Products

221368-54-3Relevant articles and documents

Estrogen receptor subtype-selective ligands: Asymmetric synthesis and biological evaluation of cis- and trans-5,11-dialkyl-5,6,11,12- tetrahydrochrysenes

Meyers, Marvin J.,Jun, Sun,Carlson, Kathryn E.,Katzenellenbogen, Benita S.,Katzenellenbogen, John A.

, p. 2456 - 2468 (2007/10/03)

We have recently reported that racemic 5,11-cis-diethyl-5,6,11,12- tetrahydrochrysene-2,8-diol (THC, rac-2b) acts as an agonist on estrogen receptor alpha (ERα) and as a complete antagonist on estrogen receptor beta (ERβ) (Sun et al. Endocrinology 1999, 1

5,6,11,12-Tetrahydrochrysenes: Synthesis of Rigid Stilbene Systems Designed To Be Fluorescent Ligands for the Estrogen Receptor

Hwang, Kwang-Jin,O'Neil, James P.,Katzenellenbogen, John A.

, p. 1262 - 1271 (2007/10/02)

We have prepared a series of tetrahydrochrysenes as fluorescent ligands for the estrogen receptor.The stilbene chromophore in this tetracyclic system is held rigid and is adorned with an electron-donating hydroxyl group at C-8 that corresponds to the phenolic hydroxyl of estrogens and an electron acceptor at C-2 to give a donor-acceptor fluorophore.Additional substituents at C-5 and C-11 provide additional bulk that improves receptor binding affinity without distorting the planar conjugated system.The tetrahydrochrysene core was prepared by an acyloin condensation of α-alkyl m-methoxyhydrocinnamate esters, followed by a double dehydrative cyclization.The cis and trans isomers of the alkyl substituted systems could be separated and their stereochemistry ascertained by X-ray crystallographic analysis; the trans isomer has the higher receptor binding affinity, and the derivative with ethyl substituents at C-5 and C-11 has the best affinity.The donor-acceptor systems were prepared by functional group manipulations on one of the aromatic methoxy groups: conversion to the trifluoromethanesulfonate was followed by a palladium-mediated carbonylation to give the acetyl derivative and methoxycarbonylation to give the ester.The ester was further elaborated to the amide and nitrile.The nitro compound was prepared by nitration of protio system, itself prepared by hydrogenolysis of the trifluoromethanesulfonate.As will be described later, these tetrahydrochrysenes provide a favorable combination of estrogen receptor binding affinity and long wavelength, high quantum yield fluorescence to make them useful as fluorescent ligands for the estrogen receptor.

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