541-79-7

Basic information

• Product Name: Carbocloral
• Synonyms: Carbocloral;CI-336;CN-16146;HY-185;NSC-33077;N-(2,2,2-trichloro-1-hydroxy-ethyl)carbamic acid ethyl ester;ETHYL N-(1-HYDROXY-2,2,2-TRICHLOROETHYL)CARBAMATE;(2,2,2-TRICHLORO-1-HYDROXY-ETHYL)-CARBAMIC ACID ETHYL ESTER
• CAS NO: 541-79-7
• Molecular Formula: C₅H₈Cl₃NO₃
• Molecular Weight: 236.481
• Mol File: 541-79-7.mol
• Article Data: 6

Chemical Properties

• Melting Point: ~103° with partial decompn
• Boiling Point: 289.4°Cat760mmHg
• Flash Point: 128.8°C
• Appearance: /
• Density: 1.521g/cm³
• Vapor Pressure: 0.000243mmHg at 25°C
• Refractive Index: 1.511
• PKA: 9.96±0.46(Predicted)
• CAS DataBase Reference: Carbocloral(CAS DataBase Reference)
• NIST Chemistry Reference: Carbocloral(541-79-7)
• EPA Substance Registry System: Carbocloral(541-79-7)

Safety Data

• Hazardous Substances Data: 541-79-7(Hazardous Substances Data)

Usage

Uses

Sedative-hypnotic.

Brand name

Prodorm (Parke-Davis).

InChI:InChI=1/C5H8Cl3NO3/c1-2-12-4(11)9-3(10)5(6,7)8/h3,10H,2H2,1H3,(H,9,11)

Upstream product

• 75-87-6 chloral 
• 51-79-6 urethane 
• 16723-30-1 (2,2,2-trichloro-ethylidene)-carbamic acid ethyl ester 
• 79-01-6 Trichloroethylene 
• 13698-16-3 ethyl N,N-dichlorocarbamate 
• 7647-01-0 hydrogenchloride 
• 302-17-0 chloral hydrate 

Downstream Products

• 67049-75-6 (2,2-dichloro-ethyl)-carbamic acid ethyl ester 
• 75-87-6 chloral 
• 51-79-6 urethane 
• 70123-49-8 (2,2,2-Trichloro-1-p-tolyl-ethyl)-carbamic acid ethyl ester 
• 60721-39-3 (2,2,2-Trichloro-1-phenyl-ethyl)-carbamic acid ethyl ester 
• 16723-33-4 1-Anilino-2.2.2-trichlor-ethyl-carbaminsaeureethylester 

Relevant articles and documents

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The reaction of ethyl diazoacetate with the N-ethoxycarbonyl-N-(2,2,2-trichloroethylidene)amine yields, by a nucleophilic addition, a new diazo compound that gives 1,3-dipolar cycloaddition reactions with acetylenic esters and maleimides. With acetylenic esters, the cycloadduct leads to substituted pyrazoles by [1,5] sigmatropic rearrangements. With maleimides, we observe a diastereospecific cycloaddition reaction. The intermediary cycloadduct evolves by nitrogen elimination to give a maleimidocyclopropane. The diastereospecificity was explained by an endo-anti approach of the reactants.

Expedient synthesis of perhaloaldehyde N-acyl hemiaminals

Various perhaloaldehyde N-acyl hemiaminals 1 are readily prepared in high yields by condensation of amides 7 with easily available perhaloaldehyde O-ethyl hemiacetals 8 or hydrates 9 in the presence of 5 A molecular sieves.

REACTION OF N,N-DICHLOROURETHANE WITH TRICHLOROETHYLENE

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