Welcome to LookChem.com Sign In|Join Free

CAS

  • or

4509-09-5

Methyl 3,4-epoxybutyrate, also known as 3,4-epoxybutan-1-yl methyl ester, is an organic compound with the chemical formula C5H8O2. It is a colorless liquid with a molecular weight of 100.12 g/mol. Methyl 3,4-epoxybutyrate is characterized by the presence of an epoxy group (a three-membered ring containing an oxygen atom) and a carboxylate group (a carbonyl group attached to an oxygen atom). Methyl 3,4-epoxybutyrate is used as a chemical intermediate in the synthesis of various pharmaceuticals, agrochemicals, and other specialty chemicals. It is also known for its potential applications in the production of polymers and as a solvent. Due to its reactivity, it is important to handle this compound with care, following appropriate safety measures.

4509-09-5 Suppliers

Post Buying Request

Recommended suppliersmore

  • Product
  • FOB Price
  • Min.Order
  • Supply Ability
  • Supplier
  • Contact Supplier
  • 4509-09-5 Structure

  • Basic information

    1. Product Name: methyl 3,4-epoxybutyrate
    2. Synonyms: methyl 3,4-epoxybutyrate;Oxirane-2-acetic acid methyl ester;Oxiraneacetic acid methyl ester;Einecs 224-826-8
    3. CAS NO:4509-09-5
    4. Molecular Formula: C5H8O3
    5. Molecular Weight: 116.11522
    6. EINECS: 224-826-8
    7. Product Categories: N/A
    8. Mol File: 4509-09-5.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 135.2°C at 760 mmHg
    3. Flash Point: 65.8°C
    4. Appearance: /
    5. Density: 1.14g/cm3
    6. Vapor Pressure: 7.82mmHg at 25°C
    7. Refractive Index: 1.434
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: methyl 3,4-epoxybutyrate(CAS DataBase Reference)
    11. NIST Chemistry Reference: methyl 3,4-epoxybutyrate(4509-09-5)
    12. EPA Substance Registry System: methyl 3,4-epoxybutyrate(4509-09-5)

  • 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: 4509-09-5(Hazardous Substances Data)

4509-09-5 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 4509-09-5 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 4,5,0 and 9 respectively; the second part has 2 digits, 0 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 4509-09:
(6*4)+(5*5)+(4*0)+(3*9)+(2*0)+(1*9)=85
85 % 10 = 5
So 4509-09-5 is a valid CAS Registry Number.
InChI:InChI=1/C5H8O3/c1-7-5(6)2-4-3-8-4/h4H,2-3H2,1H3

4509-09-5SDS

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 Methyl 3,4-epoxybutyrate

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:4509-09-5 SDS

4509-09-5Relevant articles and documents

Synthesis of 2-Fluoroacetoacetic Acid and 4-Fluoro-3-hydroxybutyric Acid

Mattingly, Stephanie J.,Wuest, Frank,Schirrmacher, Ralf

supporting information, p. 2351 - 2358 (2019/05/24)

The butyric acid scaffold is the base structure of several human metabolites that serve diverse and prominent biochemical roles including as oxidative sources of cellular energy and as substrates for biosynthesis. Derivatization of metabolites through incorporation of fluorine often alters bioactivity and can facilitate detection and analysis by nuclear magnetic resonance or positron emission tomography depending upon the fluorine isotope employed. We describe the synthesis of two new fluorinated butyric acids (and three related esters) that are derivatives of the metabolites acetoacetic acid and 3-hydroxybutyric acid. 4-Fluoro-3-hydroxybutyric acid is prepared from epoxy ester precursors via ring opening by triethylamine trihydrofluoride. 2-Fluoroacetoacetic acid is prepared by electrophilic fluorination of an acid-labile β-keto ester. The gradual pH-dependent decarboxylation of 2-fluoroacetoacetic acid is investigated by 19 F NMR spectroscopy.

Biocatalytic cascade for the synthesis of enantiopure β-azidoalcohols and β-hydroxynitriles

Schrittwieser, Joerg H.,Lavandera, Ivan,Seisser, Birgit,Mautner, Barbara,Kroutil, Wolfgang

supporting information; experimental part, p. 2293 - 2298 (2009/08/17)

A three-step, two-enzyme, one-pot reaction sequence starting from prochiral a-chloroketones leading to enantiopure (3- azidoalcohols and (3-hydroxynitriles is described. Asymmetric bioreduction of a-chloroketones by hydrogen transfer catalysed by an alcohol dehydrogenase (ADH) established the stereogenic centre in the first step to furnish enantiopure chlorohydrin intermediates. Subsequent biocatalysed ring closure to the epoxide and nucleophilic ring opening with azide, N3-, or cyanide, CN-, both catalysed by a nonselective halohydrin dehalogenase (Hhe) proceeded with full retention of configuration to give enantiopure (-azidoalcohols and (3-hydroxynitriles, respectively. Both enantiomers of various optically pure (-azidoalcohols and (-hydroxynitriles were synthesised.

Sequential kinetic resolution catalyzed by halohydrin dehalogenase

Elenkov, Maja Majeric,Tang, Lixia,Hauer, Bernhard,Janssen, Dick B.

, p. 4227 - 4229 (2007/10/03)

(Chemical Equation Presented) A sequential kinetic resolution catalyzed by halohydrin dehalogenase was employed for the synthesis of two valuable enantiopure building blocks. Resolution of methyl 4-chloro-3-hydroxybutanoate methylester ((R,S)-2) with use of a Trp249Phe mutant of halohydrin dehalogenase yielded methyl 4-cyano-3-hydroxybutanoate methylester ((S)-4) with 96.8% ee (40% yield) and (S)-2 with 95.2% ee (41% yield). This reaction is carried out in aqueous solution under mild conditions and provides access to a useful statin side-chain building block.

KINETIC RESOLUTION OF RACEMIC β,γ-EPOXY ESTERS WITH PIG LIVER ESTERASE (PLE, E.C. 3.1.1.1.)

Mohr, Peter,Roesslein, Lukas,Tamm, Christoph

, p. 2513 - 2516 (2007/10/02)

The β,γ-epoxy esters (+/-)-2 to (+/-)-6 were synthetisized.The E-values of kinetic resolution of 2, 3, 4, and 6 with PLE and the absolute configuration of the products of the hydrolysis were determined by the conversion to known compounds.

3-Hydroxyglutarate and β,γ-Epoxy Esters as Substrates for Pig Liver Esterase (PLE) and α-Chymotrypsin

Mohr, Peter,Roesslein, Lukas,Tamm, Christoph

, p. 142 - 152 (2007/10/02)

The pH dependence of the α-chymotrypsin-catalyzed hydrolysis of dimethyl 3-hydroxyglutarate (3) has been studied.The e.e. was determined by HPLC analysis of diastereoisomeric camphanoic-acid derivatives.Kinetic resolution of the β,γ-epoxy esters 10 and 24 by pig liver esterase has been shown to provide an alternative access to chiral β-hydroxy esters and acids of high optical purity.By this latter method, the unnatural enantiomer of γ-amino-β-hydroxybutyric acid (GABOB) has been sinthesized.Finally, dimethyl meso-3,4-epoxyadipate (19) was hydrolyzed by pig liver esterase with almost 100 percent selectivity.

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 4509-09-5