Ethyl N-(thioxomethylene)glycinate

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Names

[ CAS No. ]:
24066-82-8

[ Name ]:
Ethyl N-(thioxomethylene)glycinate

[Synonym ]:
Isothiocyanatoacetic Acid Ethyl Ester
Ethyl isothiocyanoacetate
SCNCH2CO2Et
EINECS 417-720-1
Ethyl N-(thioxomethylene)glycinate
ACETIC ACID,ISOTHIOCYANATO-,ETHYL ESTER
SCNCH2COOEt
Carbethoxymethylisothiocyanate
Carboethoxymethyl isothiocyanate
ethyl isothiocyanatoacetate
Glycine, N-carbonothioyl-, ethyl ester
ethoxycarbonyl methylisothiocyanate
Ethoxycarbonylmethyl Isothiocyanate
MFCD00060677

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
207.0±23.0 °C at 760 mmHg

[ Molecular Formula ]:
C5H7NO2S

[ Molecular Weight ]:
145.180

[ Flash Point ]:
79.0±22.6 °C

[ Exact Mass ]:
145.019745

[ PSA ]:
70.75000

[ LogP ]:
1.57

[ Vapour Pressure ]:
0.2±0.4 mmHg at 25°C

[ Index of Refraction ]:
1.501

[ Storage condition ]:
2-8°C

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AI5020000
CHEMICAL NAME :
Acetic acid, isothiocyanato-, ethyl ester
CAS REGISTRY NUMBER :
24066-82-8
BEILSTEIN REFERENCE NO. :
0507542
LAST UPDATED :
199701
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C5-H7-N-O2-S
MOLECULAR WEIGHT :
145.19
WISWESSER LINE NOTATION :
SCN1VO2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
350 mg/kg
TOXIC EFFECTS :
Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 35,314,1929

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302 + H312 + H332-H315-H319-H335

[ Precautionary Statements ]:
P261-P280-P305 + P351 + P338

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
Xn: Harmful;

[ Risk Phrases ]:
R20/21/22;R36/37/38

[ Safety Phrases ]:
S26-S36/37/39

[ RIDADR ]:
UN 2810 6.1/PG 2

[ WGK Germany ]:
3

[ RTECS ]:
AI5020000

[ Hazard Class ]:
6.1

[ HS Code ]:
2930909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Ethyl isocyanoacetate
  • Thiophosgene
  • Glycine ethyl ester hydrochloride
  • Carbon disulphide
  • Ethyl glycinate
  • ethyl [N-(ethylthio)thiocarbonyl]aminoacetate
  • N-(Trimethylsilyl)glycin-ethylester
  • Diethyl ether
  • Ethyl chloroformate

DownStream

  • 2-Thiohydantoin
  • ethyl 2-(aminothiocarbamoylamino)acetate
  • ethyl 2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetate
  • PTH-glycine
  • 3-Thiazolidineacetic acid, 2-(3-ethyl-4-oxo-2-thioxo-5-thiazolidinylidene)-4-oxo-, ethyl ester
  • ethyl 2-(phenylcarbamothioylamino)acetate
  • 4-ETHYL-5-PYRIDIN-4-YL-4H-[1,2,4]TRIAZOLE-3-THIOL
  • diethyl [1,3]thiazolo[5,4-d][1,3]thiazole-2,5-dicarboxylate
  • ethyl 2-isothiocyanatobut-2-enoate

Customs

[ HS Code ]: 2930909090

[ Summary ]:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Articles

Synthesis of new fused pyrimidines by isocyanate and isothiocyanate.

Chem. Pharm. Bull. 49(4) , 391-5, (2001)

o-Aminonitrile or o-aminoester compounds were cyclized to fused pyrimidines by reacting with ethyl iso(thio)cyanatoacetate in pyridine, and then were methylated, halogenated and subsequently displaced...

Addition-cyclization reactions of ethyl isothiocyanatoacetate with carboxylic acid hydrazides. Veverka M and Marchalín M.

Collect. Czech. Chem. Commun. 52(1) , 113-19, (1987)

Synthesis of 3-O-amino-2-thiohydantoins. Ryczek J.

J. Heterocycl. Chem. 40(4) , 665-70, (2003)


More Articles

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  • ethyl N-(phenylmethylene)glycinate
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  • ethyl N-(3-phenylpropanoyl)glycinate
  • ethyl N-(β-naphthylsulfonyl)-glycinate
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  • 2-[(2S)-3-(benzyl carboxy)-N-(2,2-dimethylpropyl)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanamido]acetic acid
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  • 1-[5-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-1,2-oxazole-3-carbonyl]-5-methylpiperidine-3-carboxylic acid
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
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  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine