Dibenzosuberone

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Names

[ CAS No. ]:
1210-35-1

[ Name ]:
Dibenzosuberone

[Synonym ]:
5,6-dihydrodibenzo[2,1-b:2',1'-f][7]annulen-11-one
5H-Dibenzo[a,d]cyclohepten-5-one, 10,11-dihydro-
10,11-Dihydro-5H-dibenzo[a,d][7]annulen-5-one
Dibenzosuberone
EINECS 214-912-3
L C676 BV&T&J
MFCD00003587

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
378.3±0.0 °C at 760 mmHg

[ Melting Point ]:
32-34 °C(lit.)

[ Molecular Formula ]:
C15H12O

[ Molecular Weight ]:
208.255

[ Flash Point ]:
158.3±20.1 °C

[ Exact Mass ]:
208.088821

[ PSA ]:
17.07000

[ LogP ]:
4.45

[ Vapour Pressure ]:
0.0±0.8 mmHg at 25°C

[ Index of Refraction ]:
1.618

[ Water Solubility ]:
insoluble

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
HP1149700
CHEMICAL NAME :
5H-Dibenzo(a,d)cyclohepten-5-one, 10,11-dihydro-
CAS REGISTRY NUMBER :
1210-35-1
LAST UPDATED :
199701
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C15-H12-O
MOLECULAR WEIGHT :
208.27

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology, Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1- 1990- Volume(issue)/page/year: 1,186,1992 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1800 uL/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - ptosis Behavioral - ataxia Behavioral - coma
REFERENCE :
ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology, Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1- 1990- Volume(issue)/page/year: 1,186,1992

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ Hazard Codes ]:
Xi

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
HP1149700

[ HS Code ]:
29143900

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • dibenzosuberol
  • Dibenzosuberenone
  • 5H-Dibenzo[a,d]cycloheptene,10,11-dihydro-
  • 4-Bromobenzyl bromide
  • BENZOYL CHLORIDE,2-(2-PHENYLETHYL)-
  • 5-[(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)oxy]-10,11-dihydro-5H-dibenzo[a,d]cycloheptene
  • 2-(2-Phenylethyl)benzoic acid
  • (2-(2-bromophenethyl)phenyl)(pyrrolidin-1-yl)methanone
  • 5-(2-oxo-3,3-diphenyl-2,3-dihydroindol-1-yl)-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-1-yl diphenylethanoate

DownStream

  • Amitriptyline
  • 5-Hydroxy-5-methyl-5H-dibenzo[a,d]cycloheptene
  • 5H-dibenzo[a,d]cycloheptene
  • Anthracene
  • 9-Methylanthracene
  • 9H FLUORENE
  • Phenanthrene
  • 9,10-Dihydrophenanthrene
  • 11-prop-2-enylidene-5,6-dihydrodibenzo[2,1-b:2',1'-f][7]annulene
  • 10,11-Dihydro-N,N,β,β-tetramethyl-5H-dibenzo[a,d]cycloheptene-5-(1-propanamine)

Customs

[ HS Code ]: 2914399090

[ Summary ]:
2914399090. other aromatic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

Articles

The control of impurities in amitriptyline hydrochloride using a reversed-phase hybrid stationary phase.

Pharmeur. Sci. Notes 2005(1) , 15-20, (2005)

An isocratic reversed-phase liquid chromatographic method is described using a hybrid column for the control of synthetic impurities potentially found in amitriptyline hydrochloride. The method has be...

Dibenzosuberones as p38 mitogen-activated protein kinase inhibitors with low ATP competitiveness and outstanding whole blood activity.

J. Med. Chem. 56(1) , 241-53, (2013)

p38α mitogen-activated protein (MAP) kinase is a main target in drug research concerning inflammatory diseases. Nevertheless, no inhibitor of p38α MAP kinase has been introduced to the market. This mi...

Design, synthesis, and biological evaluation of novel disubstituted dibenzosuberones as highly potent and selective inhibitors of p38 mitogen activated protein kinase.

J. Med. Chem. 55(12) , 5868-77, (2012)

Synthesis, biological testing, structure-activity relationships (SARs), and selectivity of novel disubstituted dibenzosuberone derivatives as p38 MAP kinase inhibitors are described. Hydrophilic moiet...


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Related Compounds

  • dibenzosuberone oxime
  • 2-hydroxydibenzosuberone
  • 3-Methoxy Dibenzosuberone
  • 2-METHOXY-DIBENZOSUBERONE
  • 2,9-dinitrodibenzosuberone
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide
  • N-[(3-bromocyclobutyl)methyl]butanamide