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Methyl 4-chloro-3-methoxy-2-(E)-butenoate is a chemical compound with the molecular formula C6H9ClO3. It is a colorless to light yellow liquid with a fruity odor.

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  • 85153-60-2 Structure
  • Basic information

    1. Product Name: Methyl 4-chloro-3-methoxy-2-(E)-butenoate
    2. Synonyms: 4-CHLORO-3-METHOXY-2(E)-BUTENOIC ACID METHYL ESTER;METHYL 4-CHLORO-3-METHOXY-2-(E)-BUTENOATE;METHYL 4-CHLORO-3-METHOXY-(E)-2-BUTENOATE;METHYL (E)-4-CHLORO-3-METHOXY-2-BUTENOATE;(E)-4-CHLORO-3-METHOXY-2-BUTENOIC ACID METHYL ESTER;methyl 4-chloro-3-methoxy-2-butenoate;METHYL(E)-4-CHLORO-3-METHOXY-2-BUTENOATE,97%;4-Chloro-3-methoxy-2-butenoic acid methyl ester
    3. CAS NO:85153-60-2
    4. Molecular Formula: C6H9ClO3
    5. Molecular Weight: 164.59
    6. EINECS: 285-842-9
    7. Product Categories: N/A
    8. Mol File: 85153-60-2.mol
  • Chemical Properties

    1. Melting Point: 25 °C
    2. Boiling Point: 95 °C
    3. Flash Point: 104 °C
    4. Appearance: /
    5. Density: 1.21
    6. Vapor Pressure: 0.0643mmHg at 25°C
    7. Refractive Index: 1.483-1.485
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. Water Solubility: insoluble
    11. CAS DataBase Reference: Methyl 4-chloro-3-methoxy-2-(E)-butenoate(CAS DataBase Reference)
    12. NIST Chemistry Reference: Methyl 4-chloro-3-methoxy-2-(E)-butenoate(85153-60-2)
    13. EPA Substance Registry System: Methyl 4-chloro-3-methoxy-2-(E)-butenoate(85153-60-2)
  • Safety Data

    1. Hazard Codes: C
    2. Statements: 22-34
    3. Safety Statements: 26-36/37/39-45
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 85153-60-2(Hazardous Substances Data)

85153-60-2 Usage

Uses

Used in Food Industry:
Methyl 4-chloro-3-methoxy-2-(E)-butenoate is used as a flavoring agent for its fruity and floral notes.
Used in Perfume and Fragrance Industry:
Methyl 4-chloro-3-methoxy-2-(E)-butenoate is used in the production of perfumes and other fragrances.
Used in Pharmaceutical Industry:
Methyl 4-chloro-3-methoxy-2-(E)-butenoate has potential applications in the pharmaceutical industry.
Used in Agricultural Industry:
Methyl 4-chloro-3-methoxy-2-(E)-butenoate has potential applications in the agricultural industry.
Safety Precautions:
Methyl 4-chloro-3-methoxy-2-(E)-butenoate should be handled with care, as it is considered a hazardous chemical. It should be used in a well-ventilated area and with proper safety precautions.

Check Digit Verification of cas no

The CAS Registry Mumber 85153-60-2 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 8,5,1,5 and 3 respectively; the second part has 2 digits, 6 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 85153-60:
(7*8)+(6*5)+(5*1)+(4*5)+(3*3)+(2*6)+(1*0)=132
132 % 10 = 2
So 85153-60-2 is a valid CAS Registry Number.
InChI:InChI=1/C6H9ClO3/c1-9-5(4-7)3-6(8)10-2/h3H,4H2,1-2H3

85153-60-2SDS

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 4-chloro-3-methoxy-2-(E)-butenoate

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:85153-60-2 SDS

85153-60-2Relevant articles and documents

Metal-Free and Versatile Synthetic Routes to Natural and Synthetic Prodiginines from Boron Dipyrrin

Li, Jin,Zhang, Qian,Yin, Jian,Yu, Changjiang,Cheng, Kai,Wei, Yun,Hao, Erhong,Jiao, Lijuan

supporting information, p. 5696 - 5699 (2016/11/17)

Prodiginines, as a family of bacterial alkaloids, possess a number of interesting biological activities. New, concise synthetic routes for the facile preparation of both synthetic and natural prodiginines in good yields have been developed, which use BODIPY functionalization reactions, such as condensation, nucleophilic substitution, and BF2 deprotection. This new metal-free synthetic method opens the door toward a wide variety of C-ring functionalized prodiginines, including those that are not possible to obtain through current synthetic methods, for their advanced biological activities.

Synthesis of new 3,3-dimethoxyazetidine-2-carboxylic acid derivatives

Mangelinckx, Sven,Boeykens, Marc,Vliegen, Maarten,Van Der Eycken, Johan,De Kimpe, Norbert

, p. 525 - 529 (2007/10/03)

Cyclization of γ-amino-α-bromocarboxylic esters resulted in an efficient synthesis of new 3,3-dimethoxyazetidine-2-carboxylates, that is, methyl N-t-butyl-3,3-dimethoxyazetidine-2-carboxylic ester and 3,3-dimethoxyazetidine-2-carboxylic acid, or 3-bromo-4

Synthesis of 4-alkyl-1-benzhydryl-2-(methoxymethyl)azetidin-3-ols by regio- and stereoselective alkylation of 1-benzhydryl-3-(N-alkyl)imino-2-(methoxymethyl)azetidine

Salgado, Antonio,Boeykens, Mark,Gauthier, Christine,Declercq, Jean-Paul,De Kimpe, Norbert

, p. 2763 - 2775 (2007/10/03)

The regio- and stereoselective alkylation at the position C-4 of 1-alkyl-2-substituted azetidin-3-ones was investigated. Imination of 1-benzhydryl-2-methoxymethylazetidin-3-one, followed by alkylation under kinetic conditions and final hydrolysis of the imino group, gave 4-alkyl-1-benzhydryl-2-methoxymethylazetidin-3-ones in which the susbstituents at C-2 and C-4 had the cis stereochemistry. The reduction of the carbonyl group afforded the corresponding 4-alkyl-1-benzhydryl-2-methoxymethylazetidin-3-ols. The structure and the stereochemistry of the azetidinols were confirmed by single crystal X-ray diffraction analysis.

Methyl (E)-4-chloro-3-methoxy-2-butenoate: An extremely versatile four carbon building block

Duc,McGarrity,Meul,Warm

, p. 391 - 394 (2007/10/02)

Methyl (E)-4-chloro-3-methoxy-2-butenoate (3a) is inexpensively prepared from methyl 4-chloroacetoacetate using thionyl chloride and methanol on an industrial scale. Many nucleophilic substitution reactions of chloride, which are impossible with the unpro

Novel benzopyranylpyrrolinone derivatives

-

, (2008/06/13)

Compounds of the formula STR1 wherein: R1 is cyano or nitro; R2 and R3 are independently hydrogen or lower alkyl; and R4 is alkyl; alkenyl; optionally substituted phenyl or phenyl lower alkyl; --(CH2)

Process for the production of 4-alkoxy-2(5H) thiophenones

-

, (2008/06/13)

Process for the production of 4-alkoxy-2(5H) thiophenones, which are suitable as intermediate products, i.e., for the production of highly pure thiotetronic acid.

Process for the production of 4-chloro-3-alkoxy-but-2E-enoic acid alkyl esters

-

, (2008/06/13)

A process for the production of 4-chloro-3-alkoxy-but-2E-enoic acid alkyl esters starting from 4-chloroacetoacetic acid chloride by reaction with a dialkyl sulfite. The produced intermediate products are used as structural elements for, i.a., pharmaceutical agents.

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