4461-30-7

Basic information

• Product Name: CHLOROACETYL ISOCYANATE
• Synonyms: Chloroacetyl isocyanate, 90%, tech;Chloroacetyl isocyanate >=95%;2-Chloroacetyl isocyanate;Acetyl isocyanate, chloro-;Chloroacetyl isocyante;chloro-acetylisocyanat;CHLOROACETYL ISOCYANATE;Chloroacetyl isocyanate, tech., 90%
• CAS NO: 4461-30-7
• Molecular Formula: C₃H₂ClNO₂
• Molecular Weight: 119.51
• EINECS: 224-715-4
• Product Categories: Nitrogen Compounds;Organic Building Blocks;Isocyanates
• Mol File: 4461-30-7.mol
• Article Data: 5

Chemical Properties

• Melting Point: 25°C
• Boiling Point: 50-55 °C (20 mmHg)
• Flash Point: 61 °C
• Appearance: Clear yellow/Liquid
• Density: 1.403
• Vapor Pressure: 4.17mmHg at 25°C
• Refractive Index: 1.4630
• Storage Temp.: -20°C
• Sensitive: Moisture Sensitive
• Merck: 14,2117
• BRN: 1904273
• CAS DataBase Reference: CHLOROACETYL ISOCYANATE(CAS DataBase Reference)
• NIST Chemistry Reference: CHLOROACETYL ISOCYANATE(4461-30-7)
• EPA Substance Registry System: CHLOROACETYL ISOCYANATE(4461-30-7)

Safety Data

• Hazard Codes: C,T
• Statements: 34-20/21/22-14-25-42
• Safety Statements: 8-45-36/37/39-26
• RIDADR: 3080
• WGK Germany: 3
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 4461-30-7(Hazardous Substances Data)

Usage

Description

Chloroacetyl isocyanate is a clear yellow liquid that is utilized in the synthesis of various chemical compounds. It is a reactive molecule known for its use in the production of different types of chemical analogs and derivatives.

Uses

Used in Pharmaceutical Industry:
Chloroacetyl isocyanate is used as a synthetic reagent for the production of fumagillin analogs. These analogs are important in the development of pharmaceuticals, particularly those with potential applications in treating various medical conditions.
Used in Chemical Synthesis:
Chloroacetyl isocyanate is used as a key intermediate in the synthesis of 2-chloro-N-(4-oxocyclopent-2-enyl)-acetamide. CHLOROACETYL ISOCYANATE serves as a building block for further chemical reactions and the creation of more complex molecules with specific applications in various industries.

InChI:InChI=1/C3H2ClNO2/c4-1-3(7)5-2-6/h1H2

Upstream product

• 79-37-8 oxalyl dichloride 
• 79-07-2 Chloroacetamide 
• 3315-16-0 silver cyanate 

Downstream Products

• 13558-70-8 methyl N-(chloroacetyl)carbamate 
• 60359-78-6 β-phenoxyethyl N-chloroacetyl-carbamate 
• 6092-47-3 ethyl (chloroacetyl)carbamate 
• 35332-03-7 4-(N'-chloroacetyl-ureido)-benzoic acid amide 
• 38426-03-8 1-(2-Chloro-acetyl)-3-[2-(4-nitro-phenyl)-acetyl]-urea 
• 7218-27-1 N-(2-chloroethanoyl)benzamide 
• 4791-21-3 (2-chloroacetyl)urea 
• 36324-84-2 1-[5-(4-acetylamino-benzenesulfonyl)-thiazol-2-yl]-3-chloroacetyl-urea 
• 13558-77-5 1-chloroacetyl-3-p-tolyl-urea 
• 13620-47-8 1-chloroacetyl-3-(4-chloro-phenyl)-urea 
• 13558-78-6 2-chloro-N-((4-methoxyphenyl)carbamoyl)acetamide 
• 35332-00-4 {2-[3-(2-Chloro-acetyl)-ureido]-phenylsulfanyl}-acetic acid ethyl ester 
• 38425-98-8 1-(2-Chloro-acetyl)-3-(4-dimethylamino-phenyl)-urea 
• 7248-86-4 N-Chloracetyl-N'-isopropyl-harnstoff 

Relevant articles and documents

Stereoselective iodocyclization of 3-acylamino-2-methylene alkanoates: Synthesis of analogues of N-benzoyl-syn-phenylisoserine

(Matrix Presented) A convenient approach to racemic analogues of N-benzoyl-syn-phenylisoserine was realized via the stereoselective iodocyclization of amides obtained from Baylis-Hillman adducts.

Reactions of (E)-1-Methoxy-1-trimethylsiloxyprop-1-ene with Acyl Isocyanates and Acyl Isothiocyanates

Reaction of aryl acyl,and alkyl acyl isocyanates with (E)-1-methoxy-1-trimethylsiloxyprop-1-ene affords high yields of various methyl 3-acylamino-2-methyl-3-oxopropanoates.The corresponding acyl isothiocyanates give a variety of products depending on the structure of the isothiocyanate.

Synthesis of 6-aminopenicillanic acid derivatives. I. 6-(Acylureido) penicillanates and some related compounds.

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