2-Hydroxy-5-isopropyl-2,4,6-cycloheptatriene-1-one

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Names

[ CAS No. ]:
672-76-4

[ Name ]:
2-Hydroxy-5-isopropyl-2,4,6-cycloheptatriene-1-one

[Synonym ]:
5-Isopropyl-tropolon
5-isopropyl-tropolone

Chemical & Physical Properties

[ Density]:
1.127g/cm3

[ Boiling Point ]:
303.4ºC at 760 mmHg

[ Molecular Formula ]:
C10H12O2

[ Molecular Weight ]:
164.20100

[ Flash Point ]:
128.1ºC

[ Exact Mass ]:
164.08400

[ PSA ]:
37.30000

[ LogP ]:
1.87580

[ Index of Refraction ]:
1.553

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GU4580000
CHEMICAL NAME :
2,4,6-Cycloheptatrien-1-one, 2-hydroxy-5-(1-methylethyl)-
CAS REGISTRY NUMBER :
672-76-4
BEILSTEIN REFERENCE NO. :
2044323
LAST UPDATED :
199701
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C10-H12-O2
MOLECULAR WEIGHT :
164.22
WISWESSER LINE NOTATION :
L7VJ BQ EY1&1

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 :
162 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 48,722,1959
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Amphibian - frog
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 48,722,1959

Safety Information

[ HS Code ]:
2914400090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 3-Cycloheptene-1,2-dione,5-(1-methylethyl)-,(5S)-(9CI)
  • γ-dolabrin
  • 3-Cyclohepten-1-one,2-hydroxy-5-(1-methylethyl)-,(5S)-(9CI)
  • (5R)-5-isopropyl-3-methoxycycloheptanone
  • (5S)-5-isopropyl-1-trimethylsilyloxymethyl-1,3-cycloheptene
  • (R)-((5-isopropyl-7,7-dimethoxyhept-1-en-2-yl)oxy)trimethylsilane
  • 2-chloro-5-propan-2-ylcyclohepta-2,4,6-trien-1-one
  • 2-chloro-6-isopropyl-cycloheptatrienone

DownStream

  • 2-methoxy-5-propan-2-ylcyclohepta-2,4,6-trien-1-one
  • 4-Isopropylbenzoic acid
  • Isobutyric acid
  • 2-chloro-5-propan-2-ylcyclohepta-2,4,6-trien-1-one

Customs

[ HS Code ]: 2914400090

[ Summary ]:
2914400090 other ketone-alcohols and ketone-aldehydes。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

Related Compounds

  • 2-Hydroxy-5-styryl-2,4,6-cycloheptatriene-1-one
  • potassium 6-isopropyltropolonate
  • 3-Bromotropolone
  • 2-Hydroxy-4-amino-2,4,6-cycloheptatriene-1-one
  • 2-Hydroxy-3-isopropyl-5,7-bis(morpholinomethyl)-2,4,6-cycloheptatriene-1-one
  • 3-phenoxy-tropolone
  • 2-Pyridinecarboxylic acid, 5-[[[1-(4-chlorophenyl)ethyl]amino]carbonyl]-
  • [3-(2-Methoxyethyl)-3-piperidinyl]methanol
  • 7-Methyl-2-(2-thienyl)-3H-imidazo[4,5-b]pyridine
  • Pyridin-4-yl(tetrahydrothiophen-3-yl)methanone
  • 5,6-Diethoxyindoline
  • 2H,3H,4H,7H,8H,9H-[1,4]Dioxepino[2,3-f]indole
  • 5-chloro-7-methoxy-4-methyl-2,3-dihydro-1H-indole
  • 2-(2-Oxoimidazolidin-1-yl)propanoic acid
  • 2-(4-Benzylpiperazin-1-yl)cyclohexan-1-amine
  • N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
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