2-Amino-2,4,6-cycloheptatrien-1-one

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Names

[ CAS No. ]:
6264-93-3

[ Name ]:
2-Amino-2,4,6-cycloheptatrien-1-one

[Synonym ]:
2,4,6-Cycloheptatrien-1-one, 2-amino-
2-aminotropolone
2-Amino-2,4,6-cycloheptatrien-1-one
2-Aminotridecane
1-Methyldodecylamine
2-Amino-tridecan
2-Aminocyclohepta-2,4,6-trien-1-one
2-aminotropone
2-Tridecanamine
aminotropone
2-Amino-cycloheptatrienon
2-amino-cycloheptatrienone

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
276.2±20.0 °C at 760 mmHg

[ Molecular Formula ]:
C7H7NO

[ Molecular Weight ]:
121.137

[ Flash Point ]:
120.8±21.8 °C

[ Exact Mass ]:
121.052765

[ PSA ]:
43.09000

[ LogP ]:
-0.01

[ Vapour Pressure ]:
0.0±0.6 mmHg at 25°C

[ Index of Refraction ]:
1.569

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GU3828300
CHEMICAL NAME :
2,4,6-Cycloheptatrien-1-one, 2-amino-
CAS REGISTRY NUMBER :
6264-93-3
BEILSTEIN REFERENCE NO. :
2204836
LAST UPDATED :
199612
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C7-H7-N-O
MOLECULAR WEIGHT :
121.15
WISWESSER LINE NOTATION :
L7VJ BZ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
176 mg/kg
TOXIC EFFECTS :
Behavioral - ataxia Lungs, Thorax, or Respiration - other changes
REFERENCE :
CPBTAL Chemical and Pharmaceutical Bulletin. (Japan Pub. Trading Co., USA, 1255 Howard St., San Francisco, CA 94103) V.6- 1958- Volume(issue)/page/year: 20,60,1972
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
175 mg/kg
TOXIC EFFECTS :
Behavioral - ataxia Lungs, Thorax, or Respiration - other changes
REFERENCE :
CPBTAL Chemical and Pharmaceutical Bulletin. (Japan Pub. Trading Co., USA, 1255 Howard St., San Francisco, CA 94103) V.6- 1958- Volume(issue)/page/year: 20,60,1972
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
333 mg/kg
TOXIC EFFECTS :
Behavioral - ataxia Lungs, Thorax, or Respiration - cyanosis Lungs, Thorax, or Respiration - other changes
REFERENCE :
CPBTAL Chemical and Pharmaceutical Bulletin. (Japan Pub. Trading Co., USA, 1255 Howard St., San Francisco, CA 94103) V.6- 1958- Volume(issue)/page/year: 20,60,1972

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • alpha-Methoxytropone
  • Tropolone tosylate
  • 2-Azido-tropon
  • Tropolone
  • Cycloheptatriene
  • 2-Chloro-2,4,6-cycloheptatrien-1-one
  • Arsine oxide,triphenyl-
  • Ethanol

DownStream

  • 2,4,6-Cycloheptatrien-1-one,2-hydroxy-3-iodo-
  • Triphenylstibine
  • Triphenylbismuth
  • 2H-Cycloheptaoxazole-2-thione
  • 2H-Cycloheptathiazol-2-one

Related Compounds

  • 2-Amino-7-bromo-2,4,6-cycloheptatrien-1-one
  • 2-Amino-5-hydroxy-2,4,6-cycloheptatrien-1-one
  • 2-hydroxy-3-[[(4-methylphenyl)sulfonyl]amino]-2,4,6-cycloheptatrien-1-one
  • 2-[[4-[3-(Cyclohexylamino)-2-hydroxypropoxy]phenyl]amino]-2,4,6-cycloheptatrien-1-one
  • 5-Chloro-2-[[4-[3-(cyclohexylamino)-2-hydroxypropoxy]phenyl]amino]-2,4,6-cycloheptatrien-1-one
  • 5-Chloro-2-[[4-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]phenyl]amino]-2,4,6-cycloheptatrien-1-one
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2-(thiophen-3-yl)acetate
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 2-(4-chlorophenyl)-3-phenylpropanoate
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 2-{[4-(3-methoxyphenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
  • rac-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl (1R,9aR)-octahydro-1H-quinolizine-1-carboxylate
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl (3R)-3-{[(tert-butoxy)carbonyl]amino}-4-methoxybutanoate
  • 5-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl) 1-ethyl spiro[2.3]hexane-1,5-dicarboxylate
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl (3S)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)hexanoate
  • 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl 3-(propan-2-yl)thiophene-2-carboxylate
  • 1-(1,2-Dimethoxyethyl)cyclopropan-1-amine
  • 2-Methoxy-2-[2-(pyrrolidin-1-yl)pyridin-3-yl]propan-1-amine
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