Ethyl 4-acetyl-5-methylisoxazole-3-carboxylate

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Names

[ CAS No. ]:
15911-11-2

[ Name ]:
Ethyl 4-acetyl-5-methylisoxazole-3-carboxylate

[Synonym ]:
4-acetyl-5-methyl-isoxazole-3-carboxylic acid ethyl ester
3-ISOXAZOLECARBOXYLIC ACID,4-ACETYL-5-METHYL-,ETHYL ESTER
ethyl 4-acetyl-5-methylixazole-3-carboxylate
4-Acetyl-5-methyl-3-isoxazolecarboxylic acid ethyl ester
ethyl 4-acetyl-5-methyl-3-isoxazolylcarboxylate
4-acetyl-5-methyl-isoxazole-3-carboxylate
Ethyl 4-acetyl-5-methylisoxazole-3-carboxylate

Chemical & Physical Properties

[ Density]:
1.176g/cm3

[ Boiling Point ]:
339.9ºC at 760mmHg

[ Molecular Formula ]:
C9H11NO4

[ Molecular Weight ]:
197.18800

[ Flash Point ]:
159.4ºC

[ Exact Mass ]:
197.06900

[ PSA ]:
69.40000

[ LogP ]:
1.36230

[ Vapour Pressure ]:
8.91E-05mmHg at 25°C

[ Index of Refraction ]:
1.483

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NY2360000
CHEMICAL NAME :
3-Isoxazolecarboxylic acid, 4-acetyl-5-methyl-, ethyl ester
CAS REGISTRY NUMBER :
15911-11-2
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C9-H11-N-O4
MOLECULAR WEIGHT :
197.21
WISWESSER LINE NOTATION :
T5NOJ C1 DV1 EVO2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1 gm/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
REFERENCE :
FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 24,885,1969

Safety Information

[ HS Code ]:
2934999090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Ethyl (2Z)-chloro(hydroxyimino)acetate
  • 2,4-Pentandione
  • (Z)-Ethyl 2-chloro-2-(hydroxyimino)acetate
  • 3-isoxazolecarboxylic acid 5-methyl-4-(2,5,5-trimethyl-1,3-dioxan-2-yl)-ethyl ester
  • ETHYL NITROACETATE
  • chlorohydroxyimino-acetic acid ethyl ester
  • sodium acetylacetonate

DownStream

  • 3,4,6-trimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
  • 3,4-dimethyl-6h-isoxazolo[3,4-d]pyridazin-7-one
  • 3,4-Dimethyl-6-phenylisoxazolo[3,4-d]pyridazin-7(6H)-one
  • 2,2-Diacetylacetonitrile

Customs

[ HS Code ]: 2934999090

[ Summary ]:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds

  • 5-[1-(3-chlorobenzoyl)piperidin-4-yl]-4-(4-methoxybenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
  • 5-[1-(3-bromobenzoyl)piperidin-4-yl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
  • 5-[1-(2-bromobenzoyl)piperidin-4-yl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
  • 2-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-1H,2H,3H,5H,6H,7H,8H,9H-pyrimido[1,6-a]azepin-2-yl]-N-(2-fluorophenyl)acetamide
  • N-(4-fluorobenzyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-3,5,6,7,8,9-hexahydropyrimido[1,6-a]azepin-2(1H)-yl]acetamide
  • N-(3-fluoro-4-methylphenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-3,5,6,7,8,9-hexahydropyrimido[1,6-a]azepin-2(1H)-yl]acetamide
  • 2-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-1H,2H,3H,5H,6H,7H,8H-pyrido[1,2-c]pyrimidin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
  • N-(4-bromophenyl)-5-methyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
  • 5-[1-(3,4-difluorobenzoyl)piperidin-4-yl]-4-(4-methoxybenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
  • 4-(4-fluorobenzyl)-5-[1-(3-fluoro-4-methoxybenzoyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
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