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(4E)-4-(1S,2R,3S,6R)-2-[(3S)-3-cyclohexyl-3-hydroxyprop-1-yn-1-yl]-3-hydroxybicyclo[4.2.0]oct-7-ylidenebutanoic acid is a complex chemical compound characterized by its unique structure and stereochemistry. It features a butanoic acid group, a bicyclo[4.2.0]oct-7-ylidene ring, a cyclohexyl group, and a propyn-1-yl group, all connected to a hydroxy group. The molecule's stereochemistry is defined by the (1S,2R,3S,6R) configuration, and the (4E) in its name signifies a trans double bond between the fourth and fifth carbon atoms.

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  • (4E)-4-{(1S,2R,3S,6R)-2-[(3S)-3-cyclohexyl-3-hydroxyprop-1-yn-1-yl]-3-hydroxybicyclo[4.2.0]oct-7-ylidene}butanoic acid

    Cas No: 105284-21-7

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  • 105284-21-7 Structure
  • Basic information

    1. Product Name: (4E)-4-{(1S,2R,3S,6R)-2-[(3S)-3-cyclohexyl-3-hydroxyprop-1-yn-1-yl]-3-hydroxybicyclo[4.2.0]oct-7-ylidene}butanoic acid
    2. Synonyms:
    3. CAS NO:105284-21-7
    4. Molecular Formula: C21H30O4
    5. Molecular Weight: 346.4605
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 105284-21-7.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 570.5°C at 760 mmHg
    3. Flash Point: 312.9°C
    4. Appearance: N/A
    5. Density: 1.2g/cm3
    6. Vapor Pressure: 2.17E-15mmHg at 25°C
    7. Refractive Index: 1.58
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: (4E)-4-{(1S,2R,3S,6R)-2-[(3S)-3-cyclohexyl-3-hydroxyprop-1-yn-1-yl]-3-hydroxybicyclo[4.2.0]oct-7-ylidene}butanoic acid(CAS DataBase Reference)
    11. NIST Chemistry Reference: (4E)-4-{(1S,2R,3S,6R)-2-[(3S)-3-cyclohexyl-3-hydroxyprop-1-yn-1-yl]-3-hydroxybicyclo[4.2.0]oct-7-ylidene}butanoic acid(105284-21-7)
    12. EPA Substance Registry System: (4E)-4-{(1S,2R,3S,6R)-2-[(3S)-3-cyclohexyl-3-hydroxyprop-1-yn-1-yl]-3-hydroxybicyclo[4.2.0]oct-7-ylidene}butanoic acid(105284-21-7)
  • 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: 105284-21-7(Hazardous Substances Data)

105284-21-7 Usage

Uses

Used in Pharmaceutical Industry:
(4E)-4-(1S,2R,3S,6R)-2-[(3S)-3-cyclohexyl-3-hydroxyprop-1-yn-1-yl]-3-hydroxybicyclo[4.2.0]oct-7-ylidenebutanoic acid is used as a potential pharmaceutical compound for its unique structure and stereochemistry, which may offer novel therapeutic applications.
Used in Organic Synthesis:
In the field of organic synthesis, (4E)-4-(1S,2R,3S,6R)-2-[(3S)-3-cyclohexyl-3-hydroxyprop-1-yn-1-yl]-3-hydroxybicyclo[4.2.0]oct-7-ylidenebutanoic acid can be utilized as a key intermediate or building block for the development of new organic molecules with specific properties and functions.
Used in Chemical Industries:
The unique structure and stereochemistry of (4E)-4-(1S,2R,3S,6R)-2-[(3S)-3-cyclohexyl-3-hydroxyprop-1-yn-1-yl]-3-hydroxybicyclo[4.2.0]oct-7-ylidenebutanoic acid may also find applications in various chemical industries, where it could be employed in the production of specialty chemicals, materials, or other advanced products.

Check Digit Verification of cas no

The CAS Registry Mumber 105284-21-7 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,0,5,2,8 and 4 respectively; the second part has 2 digits, 2 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 105284-21:
(8*1)+(7*0)+(6*5)+(5*2)+(4*8)+(3*4)+(2*2)+(1*1)=97
97 % 10 = 7
So 105284-21-7 is a valid CAS Registry Number.

105284-21-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name (4E)-4-[(1R,4S,5R,6S)-5-[(3S)-3-cyclohexyl-3-hydroxyprop-1-ynyl]-4-hydroxy-8-bicyclo[4.2.0]octanylidene]butanoic acid

1.2 Other means of identification

Product number -
Other names 2-Butanesulfinyl chloride

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:105284-21-7 SDS

105284-21-7Downstream Products

105284-21-7Relevant articles and documents

Potent Prostacyclin Analogues Based on the Bicyclooctane Ring System

Kluge, Arthur F.,Kertesz, Denis J.,O-Yang, Counde,Wu, Helen Y.

, p. 2860 - 2868 (2007/10/02)

The novel and biologically active prostacyclin mimetics 2 and 29 were prepared in a sequence based on the regioselective opening of epoxide 7 with a lithium acetylide in the presence of boron trifluoride etherate.The regioselectivity of epoxide opening wa

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