Phenyl chlorothionocarbonate Chemical Properties

Melting point:

51 °C

Boiling point:

81-83 °C/6 mmHg (lit.)

Density 

1.248 g/mL at 25 °C (lit.)

refractive index 

n20/D 1.581(lit.)

Flash point:

179 °F

storage temp. 

Inert atmosphere,2-8°C

solubility 

Chloroform, Ethyl Acetate

form 

Liquid

Specific Gravity

1.248

color 

Clear yellow

Water Solubility 

decomposes

Sensitive 

Moisture Sensitive

BRN 

774830

CAS DataBase Reference

1005-56-7(CAS DataBase Reference)

Safety Information

Hazard Codes 

C

Risk Statements 

34

Safety Statements 

26-36/37/39-45

RIDADR 

UN 3265 8/PG 2

WGK Germany 

3

F 

10-21

HazardClass 

8

PackingGroup 

II

HS Code 

29309070

MSDS

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Phenyl chlorothionocarbonate Usage And Synthesis

Chemical Properties

CLEAR YELLOW LIQUID

Uses

O-Phenyl chlorothionoformate has been used in:

• stereodirected synthesis of optically active, (?)-mintlactone
• synthesis of peptide α-thioesters having a variety of C-terminal amino acids
• synthesis of scyllo-inositol derivatives
• thionocarbonylation of unprotected thymine nucleosides
• preparation of phenoxythiocarbonyl esters of protected ribonucleosides

Uses

Phenyl Chlorothionoformate is used in the preparation of an bicyclic thymidine analogs as selective inhibitors of Thymidine monophosphate kinase Mycobacterium tuberculosis (TMPKmt).

Purification Methods

Purify it by dissolving in CHCl3, washing with H2O, drying (CaCl2), filtering, evaporating and distilling twice under a vacuum to give a clear yellow liquid. It is reactive and POISONOUS—work in a fume cupboard. Store it in sealed ampoules under N2. A possible impurity is O,O'-diphenyl thiocarbonate which has m 106o and remains behind in the distilling flask. [B.gemann et al. in Methoden Der Organischen Chemie (Houben-Weyl) 4th edn (E. Müller Ed.) Vol 9 Schwefel-Selen-Tellur Verbindungen pp. 807-808 1955, Rivier & Schalch Helv Chim Acta 6 612 1923, Kalson Chem Ber 20, 2384 1987, Rivier & Richard Helv Chim Acta 8 490 1925, Sch.nberg & Varga Justus Liebigs Ann Chem 483 176 1930, Sch.nberg & Vargha Chem Ber 64 1390 1931, Beilstein 6 III 609.]

Phenyl chlorothionocarbonate(1005-56-7)Related Product Information

• Diphenyl ether
• Benzyl benzoate
• Benzyl chloroformate
• PHENYL ACETATE
• Phenyl chloroformate
• Dimethyl phthalate
• Thiobenzoic acid
• Phenyl butyrate
• Phenyl salicylate
• Phenyl dichlorophosphate
• Diisononyl phthalate
• PHENYL VALERATE
• 3-Chloroperoxybenzoic acid
• Triethyl phosphonoacetate
• Phenyl benzoate
• Phenyl bromoacetate
• PHENYL RESIN
• Potassium di-tert-butyl phosphate