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4-[(2S)-OxiranylMethoxy]benzenepropanoic Acid Methyl Ester is a chiral intermediate, a specific type of organic compound that plays a crucial role in the synthesis of pharmaceuticals and other chemical products. Its unique structure, featuring an oxiranylmethoxy group attached to a benzene ring and a methyl ester group, makes it a valuable building block in the development of enantiomerically pure compounds.

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  • 112805-58-0 Structure
  • Basic information

    1. Product Name: 4-[(2S)-OxiranylMethoxy]benzenepropanoic Acid Methyl Ester
    2. Synonyms: 4-[(2S)-OxiranylMethoxy]benzenepropanoic Acid Methyl Ester
    3. CAS NO:112805-58-0
    4. Molecular Formula: C13H16O4
    5. Molecular Weight: 236
    6. EINECS: N/A
    7. Product Categories: Aromatics;Chiral Reagents;Intermediates;Intermediates & Fine Chemicals;Pharmaceuticals
    8. Mol File: 112805-58-0.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: N/A
    9. CAS DataBase Reference: 4-[(2S)-OxiranylMethoxy]benzenepropanoic Acid Methyl Ester(CAS DataBase Reference)
    10. NIST Chemistry Reference: 4-[(2S)-OxiranylMethoxy]benzenepropanoic Acid Methyl Ester(112805-58-0)
    11. EPA Substance Registry System: 4-[(2S)-OxiranylMethoxy]benzenepropanoic Acid Methyl Ester(112805-58-0)
  • 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: 112805-58-0(Hazardous Substances Data)

112805-58-0 Usage

Uses

Used in Pharmaceutical Industry:
4-[(2S)-OxiranylMethoxy]benzenepropanoic Acid Methyl Ester is used as a chiral intermediate for the preparation of Esmolol hydrochloride optical isomers. This application is significant because Esmolol hydrochloride is a medication used to treat conditions such as tachycardia, hypertension, and certain types of arrhythmias. The chiral nature of this intermediate ensures that the final product has the desired stereochemistry, which is crucial for the drug's efficacy and safety.

Check Digit Verification of cas no

The CAS Registry Mumber 112805-58-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,2,8,0 and 5 respectively; the second part has 2 digits, 5 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 112805-58:
(8*1)+(7*1)+(6*2)+(5*8)+(4*0)+(3*5)+(2*5)+(1*8)=100
100 % 10 = 0
So 112805-58-0 is a valid CAS Registry Number.

112805-58-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name methyl (S)-3-[4-(oxiran-2-ylmethoxy)phenyl]propanoate

1.2 Other means of identification

Product number -
Other names 4-[(2S)-Oxiranylmethoxy]benzenepropanoic Acid Methyl Ester

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:112805-58-0 SDS

112805-58-0Relevant articles and documents

Novel asymmetric synthesis of (S)-esmolol using hydrolytic kinetic resolution

Narsaiah, A. Venkat,Kumar, J. Kranthi

experimental part, p. 1603 - 1608 (2011/06/27)

An efficient asymmetric synthesis of (S)-methyl 3-[4-[2-hydroxy-3- (isopropyl amino) propoxy] phenyl] propanoate is described. The key intermediate (S)-methyl 3-[4-(oxiran-2-ylmethoxy) phenyl] propanoate was obtained by hydrolytic kinetic resolution method using Jacobsen catalyst.

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