Ethoxycarbonyl Isothiocyanate

Ethoxycarbonyl Isothiocyanate
  • CAS No.:16182-04-0
Other grades of this product :
Ethoxycarbonyl Isothiocyanate Basic information
Product Name:Ethoxycarbonyl Isothiocyanate
Synonyms:Ethyl isothiocyanatidocarbonate;ETHYL ISOTHIOCYANATOFORMATE,98%;(Ethoxyoxomethyl) isothiocyanate;Ethoxy(oxo)methyl isothiocyanate;Isothiocyanatoformic acid ethyl;CARBETHOXYISOTHIOCYANATE;CARBON(ISOTHIOCYANATIDIC)ACID, ETHYL ESTER;ISOTHIOCYANATOFORMIC ACID ETHYL ESTER
CAS:16182-04-0
MF:C4H5NO2S
MW:131.15
EINECS:240-318-9
Product Categories:Miscellaneous Reagents
Mol File:16182-04-0.mol
Ethoxycarbonyl Isothiocyanate Chemical Properties
Boiling point 56 °C18 mm Hg(lit.)
density 1.112 g/mL at 25 °C(lit.)
refractive index n20/D 1.500(lit.)
Fp 123 °F
storage temp. 2-8°C
solubility Soluble in chloroform and ether.
form Oil
Specific Gravity1.112
color Light Yellow
Sensitive Moisture Sensitive/Lachrymatory
BRN 606091
InChIKeyBDTDECDAHYOJRO-UHFFFAOYSA-N
CAS DataBase Reference16182-04-0(CAS DataBase Reference)
Safety Information
Hazard Codes T,Xi
Risk Statements 23-36/37/38-42
Safety Statements 23-26-36/37/39-45
RIDADR UN 2929 6.1/PG 2
WGK Germany 3
9-13-19-21
HazardClass 3
PackingGroup III
HS Code 29309090
MSDS Information
ProviderLanguage
SigmaAldrich English
ALFA English
Ethoxycarbonyl Isothiocyanate Usage And Synthesis
Chemical PropertiesLight Yellow Oil
UsesVersatile reagent for organic synthesis.Ethoxycarbonyl isothiocyanate is used as a building block in the synthesis of various heterocycles. It is also used for the synthesis of 1,2,4-oxadiazolidine-3,5-dione. It is used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.
UsesEthoxycarbonyl isothiocyanate has been used in the synthesis of:
  • pyrazolo[1,5-a][1,3,5]triazine derivatives, potential inhibitors of protein kinase CK2
  • fused thiophene derivatives, having antibacterial and antifungal activities
  • 4-thiouracil derivatives
  • thiocarbamides from stannylarenes
  • 1,3,5-triazin-2-one-4-thiones from 2-amino-2-oxazolines
  • N-acylthioureas from aminodeoxy sugars
ApplicationEthoxycarbonyl isothiocyanate reacts with 2-amino-tetrahydrobenzo[b]thiophene derivatives to yield tetrahydrobenzo[b]thiophen-2-thiourea derivatives.Ethoxycarbonyl isothiocyanate has been used in the synthesis of:pyrazolo[1,5-a][1,3,5]triazine derivatives, potential inhibitors of protein kinase CK2fused thiophene derivatives, having antibacterial and antifungal activities4-thiouracil derivativesthiocarbamides from stannylarenes1,3,5-triazin-2-one-4-thiones from 2-amino-2-oxazolinesN-acylthioureas from aminodeoxy sugars
Synthesis Reference(s)Using Schiff base as a phase transfer catalyst, ethoxycarbonyl isothiocyanate was synthesized by reacting ethyl chloroformate with sodium thiocyanate. www.semanticscholar.org
General DescriptionEthoxycarbonyl isothiocyanate reacts with 2-amino-tetrahydrobenzo[b]thiophene derivatives to yield tetrahydrobenzo[b]thiophen-2-thiourea derivatives.
HazardLachrymator.
Ethoxycarbonyl Isothiocyanate Preparation Products And Raw materials
Preparation Products4-CHLORO-2-METHYLTHIOPYRAZOLO[1,5-A]1,3,5-TRIAZINE

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