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1-(p-methylbenzyl)cyclopropanecarboxylic acid is a cyclopropane carboxylic acid derivative with the molecular formula C13H14O2. It features a p-methylbenzyl substituent attached to the cyclopropane ring, which endows it with unique reactivity and potential biological activity. This chemical compound is often utilized in the synthesis of pharmaceuticals and holds promise in the realm of medicinal chemistry.

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  • 1804-28-0 Structure
  • Basic information

    1. Product Name: 1-(p-methylbenzyl)cyclopropanecarboxylic acid
    2. Synonyms: 1-(p-methylbenzyl)cyclopropanecarboxylic acid;1-[(4-Methylphenyl)methyl]cyclopropanecarboxylic acid;1-[(4-methylphenyl)methyl]cyclopropane-1-carboxylic acid
    3. CAS NO:1804-28-0
    4. Molecular Formula: C12H14O2
    5. Molecular Weight: 190.23836
    6. EINECS: 217-294-3
    7. Product Categories: N/A
    8. Mol File: 1804-28-0.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 330°Cat760mmHg
    3. Flash Point: 153.8°C
    4. Appearance: /
    5. Density: 1.2g/cm3
    6. Vapor Pressure: 6.86E-05mmHg at 25°C
    7. Refractive Index: 1.594
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 1-(p-methylbenzyl)cyclopropanecarboxylic acid(CAS DataBase Reference)
    11. NIST Chemistry Reference: 1-(p-methylbenzyl)cyclopropanecarboxylic acid(1804-28-0)
    12. EPA Substance Registry System: 1-(p-methylbenzyl)cyclopropanecarboxylic acid(1804-28-0)
  • 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: 1804-28-0(Hazardous Substances Data)

1804-28-0 Usage

Uses

Used in Pharmaceutical Synthesis:
1-(p-methylbenzyl)cyclopropanecarboxylic acid is used as a key intermediate in the synthesis of various pharmaceuticals for its unique cyclopropane ring structure and reactivity. Its presence in the molecular structure of certain drugs can influence their pharmacological properties and therapeutic effects.
Used in Medicinal Chemistry Research:
In the field of medicinal chemistry, 1-(p-methylbenzyl)cyclopropanecarboxylic acid is employed as a starting material or a building block for the development of new drug candidates. Its cyclopropane ring and p-methylbenzyl substituent may contribute to the discovery of novel compounds with improved biological activity and selectivity.
Further study and research are necessary to fully understand the properties and potential uses of 1-(p-methylbenzyl)cyclopropanecarboxylic acid, as its unique structure and reactivity may lead to the development of innovative pharmaceuticals and therapeutic agents.

Check Digit Verification of cas no

The CAS Registry Mumber 1804-28-0 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,8,0 and 4 respectively; the second part has 2 digits, 2 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 1804-28:
(6*1)+(5*8)+(4*0)+(3*4)+(2*2)+(1*8)=70
70 % 10 = 0
So 1804-28-0 is a valid CAS Registry Number.
InChI:InChI=1/C12H14O2/c1-9-2-4-10(5-3-9)8-12(6-7-12)11(13)14/h2-5H,6-8H2,1H3,(H,13,14)

1804-28-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-(p-Methylbenzyl)cyclopropanecarboxylic acid

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:1804-28-0 SDS

1804-28-0Relevant articles and documents

Solvent and ligand partition reaction pathways in nickel-mediated carboxylation of methylenecyclopropanes

Murakami, Masahiro,Ishida, Naoki,Miura, Tomoya

, p. 643 - 645 (2008/02/10)

Methylenecyclopropanes are carboxylated with gaseous carbon dioxide in the presence of a stoichiometric amount of a nickel complex; the reaction pathways are significantly influenced by the reaction solvent and the amine ligand. The Royal Society of Chemi

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