ChemicalBook--->CAS DataBase List--->553-03-7

553-03-7

553-03-7 Structure

553-03-7 Structure
IdentificationMore
[Name]

1,2,3,4-Tetrahydroquinolin-2-one
[CAS]

553-03-7
[Synonyms]

1,2,3,4-Tetrahydroquinolin-2-one
2-OXO-1,2,3,4-TETRAHYDROQUINOLINE
2-OXO-1,3,4-TRIHYDROQUINOLINE
3,4-DIHYDRO-1H-QUINOLIN-2-ONE
3,4-DIHYDRO-2(1H)-QUINOLINONE
3,4-DIHYDRO-2(1H)-QUINOLONE
3,4-DIHYDRO-2(H)-QUINOLINE
DIHYDROCARBOSTYRIL
HYDROCARBOSTYRIL
3,4-Dihydrocarbostyril
dihydro-α-quinolone
o-aminohydrocinnamic acid lactam
3,4-DIHYDRO-1H-QUINOLIN-2-ONE, 99+%
2-Oxo-1,2,3,4-tetrahydroquinoline, 3,4-Dihydrocarbostyril
1,2,3,4-Tetrahydro-2(1H)-quinolinone
1,2,3,4-Tetrahydro-2-oxoquinoline
3,4-Dihydro-2-quinolinone
1,2,3,4-Tetrahydroquinoline-2-one
[EINECS(EC#)]

621-863-5
[Molecular Formula]

C9H9NO
[MDL Number]

MFCD00016722
[Molecular Weight]

147.17
[MOL File]

553-03-7.mol
Chemical PropertiesBack Directory
[Appearance]

Off-white crystalline powder
[Melting point ]

165-167 °C (lit.)
[Boiling point ]

267.28°C (rough estimate)
[density ]

1.1135 (rough estimate)
[refractive index ]

1.5200 (estimate)
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[solubility ]

DMF: 30 mg/ml,DMSO: 30 mg/ml,DMSO:PBS (pH 7.2) (1:6): 0.14 mg/ml
[form ]

Crystalline Powder
[pka]

14.76±0.20(Predicted)
[color ]

Off-white
[Water Solubility ]

Slightly soluble in water.
[Sensitive ]

Light Sensitive
[Merck ]

13,4800
[InChI]

InChI=1S/C9H9NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-4H,5-6H2,(H,10,11)
[InChIKey]

TZOYXRMEFDYWDQ-UHFFFAOYSA-N
[SMILES]

N1C2=C(C=CC=C2)CCC1=O
[CAS DataBase Reference]

553-03-7(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Skull and Crossbones (GHS06)
GHS07,GHS06
[Signal word ]

Warning
[Hazard statements ]

H301-H302-H315-H317-H319-H335
[Precautionary statements ]

P280a-P301+P310a-P405-P501a-P261-P280-P305+P351+P338
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
R43:May cause sensitization by skin contact.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37:Wear suitable protective clothing and gloves .
[RIDADR ]

2811
[WGK Germany ]

2
[Hazard Note ]

Irritant
[HazardClass ]

6.1(b)
[PackingGroup ]

III
[HS Code ]

29337900
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
Skin Sens. 1
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

N-BOC-3,4-Dihydro-2(1H)-quinolinone-->3-Chloro-N-phenylpropanamide-->1-Indanone
[Preparation Products]

Cilostazol-->VESNARINONE-->2-dioxaborolan-2-yl)quinolin-2(1H)-one-->6,8-Dinitro-3,4-dihydro-1H-quinolin-2-one-->6,8-Dichloro-3,4-dihydro-1H-quinolin-2-one-->6,8-Dibromo-3,4-dihydroquinolin-2(1H)-one
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3,4-Dihydro-2(1H)-quinolinone(553-03-7).msds
Hazard InformationBack Directory
[Chemical Properties]

Off-white crystalline powder
[Uses]

3,4-Dihydro-2(1H)-quinolinone may be employed as medium supplement in the culture medium of Pseudomonas ayucida during enrichment culture experiments.
[Uses]

3,4-Dihydro-2-(1H)-quinolinone may be employed as medium supplement in the culture medium of Pseudomonas ayucida during enrichment culture experiments. It is used to prepare potent bicyclic peptide deformylase inhibitors with antibacterial effects. It is also used to synthesize substituted iminopiperidines as inhibitors of human nitric oxide synthase isoforms.
[Definition]

ChEBI: 3,4-Dihydro-2(1H)-quinolinone is a member of quinolines.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 89, p. 7131, 1967 DOI: 10.1021/ja01002a061
Tetrahedron Letters, 36, p. 125, 1995 DOI: 10.1016/0040-4039(94)02191-D
[General Description]

Series of 3,4-dihydro-2(1H)-quinolinone derivatives having sigma-1 receptor (σ1R) antagonist activity have been synthesized. 3,4-dihydro-2((1)H)-quinolinones have been synthesized using N-(1′-alkoxy)cyclopropyl-2-haloanilines as starting reagent. Cyclopropane ring expansion in the presence of palladium catalyst is the major step involved in the synthesis. Library of 3,4-dihydro-2(1H)-quinolinones have been synthesized through the rearrangement of β-lactam intermediates on the solid-phase
Spectrum DetailBack Directory
[Spectrum Detail]

3,4-DIHYDROQUINOLIN-2(1H)-ONE(553-03-7)IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3,4-Dihydro-2(1H)-quinolinone, 98%(553-03-7)
[Sigma Aldrich]

553-03-7(sigmaaldrich)
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