2-(3-Pyridylmethylene)-3,4-dihydro-1(2H)-naphthalenone

Modify Date: 2024-02-29 08:43:41

2-(3-Pyridylmethylene)-3,4-dihydro-1(2H)-naphthalenone Structure
2-(3-Pyridylmethylene)-3,4-dihydro-1(2H)-naphthalenone structure
Common Name 2-(3-Pyridylmethylene)-3,4-dihydro-1(2H)-naphthalenone
CAS Number 13640-51-2 Molecular Weight 235.28100
Density 1.214g/cm3 Boiling Point 415ºC at 760 mmHg
Molecular Formula C16H13NO Melting Point N/A
MSDS N/A Flash Point 210.9ºC

 Names

Name 3,4-dihydro-2-(3-pyridinylmethylene)-1(2h)-naphthalenone
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.214g/cm3
Boiling Point 415ºC at 760 mmHg
Molecular Formula C16H13NO
Molecular Weight 235.28100
Flash Point 210.9ºC
Exact Mass 235.10000
PSA 29.96000
LogP 3.29410
Vapour Pressure 4.27E-07mmHg at 25°C
Index of Refraction 1.664

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
QK5054010
CHEMICAL NAME :
1(2H)-Naphthalenone, 3,4-dihydro-2-(3-pyridylmethylene)-
CAS REGISTRY NUMBER :
13640-51-2
BEILSTEIN REFERENCE NO. :
1461622
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C16-H13-N-O
MOLECULAR WEIGHT :
235.30
WISWESSER LINE NOTATION :
L66 BVYT&J CU1- CT6NJ

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 :
147 mg/kg
TOXIC EFFECTS :
Behavioral - muscle weakness
REFERENCE :
JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 56,644,1967

 Synthetic Route

~45%

2-(3-Pyridylmethylene)-3,4-dihydro-1(2H)-naphthalenone Structure

2-(3-Pyridylmet...

CAS#:13640-51-2

Literature: Waechter, Gerald A.; Hartmann, Rolf W.; Sergejew, Tom; Gruen, Gertrud L.; Ledergerber, Dorothea Journal of Medicinal Chemistry, 1996 , vol. 39, # 4 p. 834 - 841

 Precursor & DownStream

Precursor  2

DownStream  0

 Synonyms

(E)-4,5-Dihydro-4,4-dimethyl-2-(2-(3-nitrophenyl)ethenyl)oxazole monohydrochloride
(E)-2-(3-Nitrostyryl)-4,4-dimethyl-2-oxazoline hydrochloride
4,4-dimethyl-2-[(E)-2-(3-nitrophenyl)ethenyl]-5H-1,3-oxazole hydrochloride
Oxazole,4,5-dihydro-4,4-dimethyl-2-(2-(3-nitrophenyl)ethenyl)-,monohydrochloride,(E)
(E)-2-(3-Pyridyl)methylene-1-tetralone