3-Acetylindole

Names

[ CAS No. ]:
703-80-0

[ Name ]:
3-Acetylindole

[Synonym ]:
1-(1H-indol-3-yl)-ethanone
3-indolyl-methyl-ketone
Acetyl-3-indole
1-(1H-Indol-3-yl)ethanone
3-Acetyl-1H-indole
Ethanone, 1- (1H-indol-3-yl)-
Ethanone, 1-(1H-indol-3-yl)-
Indol-3-yl methyl ketone
KETONE,INDOL-3-YL METHYL
EINECS 211-875-5
Ethanone,1-(1H-indol-3-yl)
MFCD00005626
3-acetyl indole
3-Acetylindole

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
333.9±15.0 °C at 760 mmHg

[ Melting Point ]:
188-192 °C(lit.)

[ Molecular Formula ]:
C₁₀H₉NO

[ Molecular Weight ]:
159.185

[ Flash Point ]:
163.7±27.8 °C

[ Exact Mass ]:
159.068420

[ PSA ]:
32.86000

[ LogP ]:
2.06

[ Vapour Pressure ]:
0.0±0.7 mmHg at 25°C

[ Index of Refraction ]:
1.648

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: OB4520000

CHEMICAL NAME :: Ketone, indol-3-yl methyl

CAS REGISTRY NUMBER :: 703-80-0

BEILSTEIN REFERENCE NO. :: 0122579

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C10-H9-N-O

MOLECULAR WEIGHT :: 159.20

WISWESSER LINE NOTATION :: T56 BMJ DV1

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 :: 300 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 9,453,1974

Safety Information

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

[ Hazard Codes ]:
Xi

[ Safety Phrases ]:
S22-S24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
OB4520000

[ HS Code ]:
29339990

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2933990090

[ Summary ]:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Articles

Synthesis and evaluation of 1-(benzo[b]thiophen-2-yl)ethanone analogues as novel anti-osteoporosis agents acting on BMP-2 promotor.

Bioorg. Med. Chem. Lett. 19 , 4167-70, (2009)

A novel series of 1-(benzo[b]thiophen-2-yl)ethanone analogues were prepared and evaluated for enhancing BMP-2 expression. Compounds 1-5, 7, 8, 12, 13 and 16, with upregulation rate values of 35.6%, 27...