ETHYL ISOTHIOCYANATOACETATE

ETHYL ISOTHIOCYANATOACETATE Basic information

Product Name:	ETHYL ISOTHIOCYANATOACETATE
Synonyms:	Carbethoxymethyl isothiocyanate;carbethoxymethylisothiocyanate;Carboethoxymethyl isothiocyanate;carboethoxymethylisothiocyanate;Ethyl isothiocyanoacetate;isothiocyanato-aceticaciethylester;ETHOXYCARBONYLMETHYL ISOTHIOCYANATE;ETHYL ISOTHIOCYANATOACETATE
CAS:	24066-82-8
MF:	C5H7NO2S
MW:	145.18
EINECS:	417-720-1
Product Categories:	Organic Building Blocks;Sulfur Compounds;Thiocyanates/Isothiocyanates
Mol File:	24066-82-8.mol

ETHYL ISOTHIOCYANATOACETATE Chemical Properties

Boiling point	104-106 °C/7 mmHg (lit.)
density	1.171 g/mL at 25 °C (lit.)
refractive index	n20/D 1.502(lit.)
Fp	228 °F
storage temp.	2-8°C
form	clear liquid
color	Colorless to Red to Green
Specific Gravity	1.171
InChIKey	IYPSSPPKMLXXRN-UHFFFAOYSA-N
CAS DataBase Reference	24066-82-8(CAS DataBase Reference)
EPA Substance Registry System	Acetic acid, isothiocyanato-, ethyl ester (24066-82-8)

Safety Information

Hazard Codes	Xn
Risk Statements	20/21/22-36/37/38
Safety Statements	26-36/37/39
RIDADR	UN 2810 6.1/PG 2
WGK Germany	3
RTECS	AI5020000
HazardClass	IRRITANT-HARMFUL
PackingGroup	III
HS Code	29309090
Toxicity	rat,LDLo,subcutaneous,350mg/kg (350mg/kg),PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSIONBEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD,Archives Internationales de Pharmacodynamie et de Therapie. Vol. 35, Pg. 314, 1929.

MSDS Information

Provider	Language
SigmaAldrich	English

ETHYL ISOTHIOCYANATOACETATE Usage And Synthesis

Uses

Ethyl isothiocyanatoacetate has been used in the synthesis of:

fused pyrimidines
ethyl (3-substituted 5-thioxo-1,2,4-triazolin-4-yl)acetates via addition-cyclization reaction with carboxylic acid hydrazides in the presence of sodium ethoxide
3-O-amino-2-thiohydantoins
quinazoline, benzothienopyrimidine and benzofuropyrimidine
thiazolo[5,4-d]thiazole

ETHYL ISOTHIOCYANATOACETATE Preparation Products And Raw materials

Raw materials	Glycine, N-(trimethylsilyl)-, ethyl ester-->TRIMETHYLSILYL ISOTHIOCYANATE-->Ethyl isocyanoacetate-->Carbon disulfide-->ethyl glycinate-->Glycine ethyl ester hydrochloride-->Thiophosgene-->Ethyl bromoacetate
Preparation Products	ethyl 2-(ethoxycarbonylamino)acetate-->4-ETHYL-5-PYRIDIN-4-YL-4H-[1,2,4]TRIAZOLE-3-THIOL

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