3-(4-methoxyphenyl)-1-oxa-2-aza-3-azoniacyclopent-3-en-5-one

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Names

[ CAS No. ]:
3815-80-3

[ Name ]:
3-(4-methoxyphenyl)-1-oxa-2-aza-3-azoniacyclopent-3-en-5-one

[Synonym ]:
N-p-Anisylsydnone
4-nitrobenzothiazole
N-p-methoxyphenyl-sydnone

Chemical & Physical Properties

[ Molecular Formula ]:
C9H10N2O3++

[ Molecular Weight ]:
194.18700

[ Exact Mass ]:
194.06900

[ PSA ]:
60.62000

[ LogP ]:
0.08460

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
WU7690300
CHEMICAL NAME :
Sydnone, 3-(p-methoxyphenyl)-
CAS REGISTRY NUMBER :
3815-80-3
LAST UPDATED :
199712
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C9-H8-N2-O3
MOLECULAR WEIGHT :
192.19
WISWESSER LINE NOTATION :
T5NNOVJ AR DO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
461 mg/kg
TOXIC EFFECTS :
Autonomic Nervous System - smooth muscle relaxant (mechanism undefined, spasmolytic) Behavioral - anticonvulsant Behavioral - altered sleep time (including change in righting reflex)
REFERENCE :
ABMGAJ Acta Biologica et Medica Germanica. (Berlin, Ger. Dem. Rep.) V.1-41, 1958-82. For publisher information, see BBIADT. Volume(issue)/page/year: 14,369,1965

Safety Information

[ HS Code ]:
2934999090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • (1-(4-methoxyphenyl)-2-oxohydrazino)acetic acid
  • DL-4-Methoxyphenylglycine
  • p-Anisidine
  • ethyl 2-[(4-methoxyphenyl)amino]acetate

DownStream

  • 1-(4-methoxyphenyl)-4-phenylpyrazole
  • 1-(4-methoxyphenyl)-3-phenylpyrazole

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

  • 3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-{[(3-hydroxycyclopentyl)methyl]carbamoyl}propanoic acid
  • (2S)-2-{[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)cycloheptyl]formamido}-3-methylbutanoic acid
  • 4-{1-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]cyclopropaneamido}oxolane-3-carboxylic acid
  • 3-[N-ethyl-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-methylbutanamido]butanoic acid
  • rac-(1R,2R,4S)-7-[3-(benzyloxy)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
  • 2-(3-{[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-methylpentanamido]methyl}cyclobutyl)acetic acid
  • 1-[4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)hexanoyl]-2-methylpiperidine-2-carboxylic acid
  • 2-[4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)hexanamido]-1-methylcyclopentane-1-carboxylic acid
  • 2-{N-ethyl-2-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]butanamido}-2-methylpropanoic acid
  • (2S)-2-{2-[1-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)cyclopentyl]acetamido}butanoic acid
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