1-(2,3-Dihydro-1H-indol-1-yl)ethan-1-one

HCID 27673CAS 16078-30-1

Basic information

Standard SMILES
CC(=O)N1CCc2ccccc21
InChIKey
RNTCWULFNYNFGI-UHFFFAOYSA-N
Molecular formula
C10H11NO
Average molar mass
161.2 g/mol
Monoisotopic mass
161.08406397

Names & identifiers

Preferred name
1-(2,3-Dihydro-1H-indol-1-yl)ethan-1-one
IUPAC
1-(2,3-dihydroindol-1-yl)ethanone
English name
1-Acetylindoline
Molecular formula
C10H11NO
Molecular weight
161.2

Names & synonyms

1-Acetylindoline1-(2,3-dihydro-1H-indol-1-yl)ethan-1-oneRefChem:420356881-370-816078-30-11-(indolin-1-yl)ethanoneN-Acetylindoline1-(2,3-dihydroindol-1-yl)ethanoneMFCD000229081H-Indole, 1-acetyl-2,3-dihydro-acetylindolineEthanone, 1-(2,3-dihydro-1H-indol-1-yl)-
Show more names
1-(indolin-1-yl)ethan-1-one1-acetyl-indolinN-ACETYL INDOLINEAcetylindoline,N-1-ACETYLINDOLINE 98+%1-acetyl-2,3-dihydro-1h-indol
1-ACETYL-2,3-DIHYDROINDOLECHEMBL32749781-(2,3-dihydro-indol-1-yl)-ethanoneINDOLINE, 1-ACETYL-BRN 01293661H-Indole, 1-acetyl-2,3-dihydro- (9CI)1-acetyl-indoline1-Acetyl-2,3-dihydro-1H-indole

Database identifiers

CAS
16078-30-1
PubChem CID
27673
DTXSID
DTXSID10166984
ChEMBL
CHEMBL3274978
EC Number
881-370-8
Nikkaji
J40.153F

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
20.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
12

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Melting point
102 · 102-104 °C(lit.)
Boiling point
125 · 125-130 °C(Press: 1 Torr)
Density
1.144 · 1.144±0.06 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
pka
1.13 · 1.13±0.20(Predicted)
Appearance
White to light brown Solid

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (50%)

Safety data

wgk
3
rtecs
NM1892500
hs_code
2933998090
Signal word
Warning
Symbol(GHS)
GHS07
safety_code
22-24/25

Chemistry & industry

Applications · 4 items

Uses• ;Reactant for preparation of triazolothiadiazepine dioxide derivatives1• ;Reactant for preparation of halo-substituted aromatic amides2• ;Reactant for preparation of [[(phenyl)piperazinyl]alkyl]indolyl]ethanone and [[[(phenoxyethyl)piperazinyl]alkyl]indolyl]ethanone derivatives as α1-adrenoreceptor antagonists3• ;Reactant for synthesis of naphthalenedione derivatives as antimycobacterial agents4• ;Reactant for regioselective ortho Suzuki-Miyaura coupling reaction5

Uses1-(2,3-Dihydroindol-1-yl)ethanone is an intermediate used for preparation of triazolothiadiazepine dioxide derivatives, halo-substituted aromatic amides and [[(phenyl)piperazinyl]alkyl]indolyl]ethanone.

UsesReactant for preparation of triazolothiadiazepine dioxide derivativesReactant for preparation of halo-substituted aromatic amidesReactant for preparation of [[(phenyl)piperazinyl]alkyl]indolyl]ethanone and [[[(phenoxyethyl)piperazinyl]alkyl]indolyl]ethanone derivatives as α1-adrenoreceptor antagonistsReactant for synthesis of naphthalenedione derivatives as antimycobacterial agentsReactant for regioselective ortho Suzuki-Miyaura coupling reaction

General Description1-Acetylindoline, a substituted indole, is a tertiary amide having bulky N-groups. Its reduction to the corresponding amine, by reaction with silane in the presence of MoO2Cl2 (catalyst), has been reported.

Suppliers50 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

Related reactions

55 records

Linked notes

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