ethyl 4-amino-2-sulfanylpyrimidine-5-carboxylate

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Names

[ CAS No. ]:
774-07-2

[ Name ]:
ethyl 4-amino-2-sulfanylpyrimidine-5-carboxylate

[Synonym ]:
5-Pyrimidinecarboxylic acid, 4-amino-1,2-dihydro-2-thioxo-, ethyl ester
MFCD00023227
5-pyrimidinecarboxylic acid, 6-amino-1,2-dihydro-2-thioxo-, ethyl ester
ethyl 4-amino-2-sulfanylpyrimidine-5-carboxylate
5-Pyrimidinecarboxylic acid, 4-amino-2-mercapto-, ethyl ester
ethyl 6-amino-2-sulfanylidene-1H-pyrimidine-5-carboxylate
ethyl 4-amino-2-thioxo-1,2-dihydropyrimidine-5-carboxylate
Ethyl 4-amino-2-thioxo-1,2-dihydro-5-pyrimidinecarboxylate
ethyl 6-amino-2-thioxo-1,2-dihydropyrimidine-5-carboxylate

Chemical & Physical Properties

[ Density]:
1.4±0.1 g/cm3

[ Boiling Point ]:
386.0±45.0 °C at 760 mmHg

[ Melting Point ]:
261-263°C

[ Molecular Formula ]:
C7H9N3O2S

[ Molecular Weight ]:
199.230

[ Flash Point ]:
187.2±28.7 °C

[ Exact Mass ]:
199.041550

[ PSA ]:
116.90000

[ LogP ]:
-0.76

[ Vapour Pressure ]:
0.0±0.9 mmHg at 25°C

[ Index of Refraction ]:
1.624

[ Storage condition ]:
-20°C Freezer

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UV7720000
CHEMICAL NAME :
5-Pyrimidinecarboxylic acid, 4-amino-2-mercapto-, ethyl ester
CAS REGISTRY NUMBER :
774-07-2
LAST UPDATED :
197901
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C7-H9-N3-O2-S
MOLECULAR WEIGHT :
199.25
WISWESSER LINE NOTATION :
T6N CNJ BSH DZ EVO2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
320 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#03521

Safety Information

[ Hazard Codes ]:
Xi:Irritant;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S36

[ RTECS ]:
UV7720000

[ HS Code ]:
2933599090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Ethyl (ethoxymethylene)cyanoacetate
  • Ethyl (2E)-2-cyano-3-ethoxyacrylate

DownStream

  • 5-Pyrimidinecarboxylicacid, 6-amino-1,2-dihydro-2-oxo-
  • Ethyl4-Amino-2-hydroxy-5-pyrimidinecarboxylate
  • Ethyl 4-amino-2-(ethylthio)-5-pyrimidinecarboxylate
  • Ethyl 4-amino-2-(methylsulfanyl)pyrimidine-5-carboxylate
  • 4-Amino-2-(methylthio)pyrimidine-5-carboxylic acid
  • 4-Aminopyrimidine-5-carboxylic acid
  • 4-Amino-2-(ethylthio)-5-hydroxymethyl-pyrimidine
  • 4-Amino-5-hydroxymethyl-2-(methylthio)pyrimidine
  • 5-HYDROXYMETHYLCYTOSINE
  • {[4-AMINO-5-(ETHOXYCARBONYL)PYRIMIDIN-2-YL]THIO}ACETIC ACID

Customs

[ HS Code ]: 2933599090

[ Summary ]:
2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds

  • 5-Pyrimidinecarboxylicacid, 4-amino-2-[(2,4-dinitrophenyl)thio]-, ethyl ester
  • ethyl 4-amino-2-butylsulfanylpyrimidine-5-carboxylate
  • ethyl 4-amino-2-ethoxypyrimidine-5-carboxylate
  • Ethyl 4-Amino-2-Methyl-1,3-Thiazole-5-Carboxylate
  • ethyl 4-amino-2-phenylpyrimidine-5-carboxylate
  • ethyl 4-amino-2-(aminomethyl)pyrimidine-5-carboxylate,hydrochloride