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1-[2-(Benzyloxy)ethyl]-cyclohexanecarboxylic Acid Methyl Ester is a chemical compound characterized by its yellow oil appearance. It is a derivative of cyclohexanecarboxylic acid with a methyl ester group and a benzyloxyethyl moiety attached to the cyclohexane ring.

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  • Cyclohexanecarboxylic acid, 1-[2-(phenylmethoxy)ethyl]-, methyl ester

    Cas No: 865459-93-4

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  • 865459-93-4 Structure
  • Basic information

    1. Product Name: 1-[2-(Benzyloxy)ethyl]-cyclohexanecarboxylic Acid Methyl Ester
    2. Synonyms: 1-[2-(Benzyloxy)ethyl]-cyclohexanecarboxylic Acid Methyl Ester
    3. CAS NO:865459-93-4
    4. Molecular Formula: C17H24O3
    5. Molecular Weight: 276.37066
    6. EINECS: N/A
    7. Product Categories: Aromatics, Pharmaceuticals, Intermediates & Fine Chemicals
    8. Mol File: 865459-93-4.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.: N/A
    8. Solubility: Dichloromethane
    9. CAS DataBase Reference: 1-[2-(Benzyloxy)ethyl]-cyclohexanecarboxylic Acid Methyl Ester(CAS DataBase Reference)
    10. NIST Chemistry Reference: 1-[2-(Benzyloxy)ethyl]-cyclohexanecarboxylic Acid Methyl Ester(865459-93-4)
    11. EPA Substance Registry System: 1-[2-(Benzyloxy)ethyl]-cyclohexanecarboxylic Acid Methyl Ester(865459-93-4)
  • 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: 865459-93-4(Hazardous Substances Data)

865459-93-4 Usage

Uses

Used in Pharmaceutical Industry:
1-[2-(Benzyloxy)ethyl]-cyclohexanecarboxylic Acid Methyl Ester is used as a precursor in the synthesis of peptidyl sulfur compounds. These compounds serve as inhibitors of the hepatitis C virus NS3 serine protease, which plays a crucial role in the viral replication process. By inhibiting this enzyme, the compound can potentially help in the development of antiviral treatments for hepatitis C.
The chemical properties and applications of 1-[2-(Benzyloxy)ethyl]-cyclohexanecarboxylic Acid Methyl Ester make it a valuable compound in the pharmaceutical industry, particularly for the development of antiviral drugs targeting hepatitis C virus. Its unique structure allows for the creation of peptidyl sulfur compounds that can effectively inhibit the NS3 serine protease, offering a promising avenue for the treatment of this viral infection.

Check Digit Verification of cas no

The CAS Registry Mumber 865459-93-4 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 8,6,5,4,5 and 9 respectively; the second part has 2 digits, 9 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 865459-93:
(8*8)+(7*6)+(6*5)+(5*4)+(4*5)+(3*9)+(2*9)+(1*3)=224
224 % 10 = 4
So 865459-93-4 is a valid CAS Registry Number.

865459-93-4Relevant articles and documents

Domino Pd0-Catalyzed C(sp3)–H Arylation/Electrocyclic Reactions via Benzazetidine Intermediates

Rocaboy, Ronan,Dailler, David,Zellweger, Florian,Neuburger, Markus,Salomé, Christophe,Clot, Eric,Baudoin, Olivier

supporting information, p. 12131 - 12135 (2018/09/11)

The Pd0-catalyzed C(sp3)-H arylation of 2-bromo-N-methylanilides leads to unstable benzazetidine intermediates that rearrange to benzoxazines through 4π electrocyclic ring-opening and 6π electrocyclization. The introduction of a bulky, non-activatable amide group on the nitrogen atom was key to favor the challenging reductive elimination step and disfavor undesired reaction pathways.

SULFUR COMPOUNDS AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE

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Page/Page column 132, (2010/02/14)

The present invention discloses novel compounds which have HCV protease inhibitory activity as well as methods for preparing such compounds. In another embodiment, the invention discloses pharmaceutical compositions comprising such compounds as well as methods of using them to treat disorders associated with the HCV protease.

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