6-Methoxy-1,2,3,4-tetrahydronaphthalin-1-on

6-Methoxy-alpha-tetralone

HCID 14112CAS 1078-19-9
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

Standard-SMILES
COc1ccc2c(c1)CCCC2=O
InChIKey
MNALUTYMBUBKNX-UHFFFAOYSA-N
Summenformel
C11H12O2
Durchschnittliche Molmasse
176,21 g/mol
Monoisotopische Masse
176,08372962

Überblick

6-Methoxy-1-tetralone is a member of tetralins.

Namen und Bezeichner

Bevorzugter Name
6-Methoxy-alpha-tetralone
IUPAC
6-methoxy-3,4-dihydro-2H-naphthalen-1-one
Lokaler Name
6-Methoxy-1,2,3,4-tetrahydronaphthalin-1-on
Englischer Name
6-methoxy-1-tetralone
Summenformel
C11H12O2
Molmasse
176.21

Namen und Synonyme

6-Methoxy-1-tetralone1078-19-96-methoxy-3,4-dihydronaphthalen-1(2H)-one6-Methoxy-alpha-tetralone6-methoxy-3,4-dihydro-2H-naphthalen-1-one1(2H)-Naphthalenone, 3,4-dihydro-6-methoxy-6-Methoxy-3,4-dihydro-1(2H)-naphthalenone6-Methoxy-1,2,3,4-tetrahydronaphthalen-1-one6-Methoxy-.alpha.-tetralone3,4-Dihydro-6-methoxy-1(2H)-naphthalenoneDTXSID6057617EINECS 214-078-0
Weitere Namen anzeigen
6-Methoxy6-METHOXY TETRALONE6-Methoxy-1-tertralone
NSC 41700NSC-41700IA52U30635DTXCID70314066-Methoxy-1,2,3,4-tetrahydro-1-naphthalenoneEC 214-078-01-oxo-1,2,3,4-tetrahydro-6-methoxynaphthalene1,2,3,4-TETRAHYDRO-6-METHOXY-1-NAPHTHALENONE

Datenbank-Bezeichner

CAS
1078-19-9
PubChem CID
14112
DTXSID
DTXSID6057617
ChEMBL
CHEMBL1900603
ChEBI
CHEBI:194913
UNII
IA52U30635
EC Number
214-078-0
Nikkaji
J7.239G

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2
Polarare Oberfläche (TPSA)
26,3 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
1
Schwere Atome
13

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Aromatic Ketones
Physical DescriptionSolid; [Merck Index] Light yellow crystalline powder; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt
77 · 77-79 °C (lit.)
Siedepunkt
171 °C/11 · 171 °C/11 mmHg (lit.)
Dichte
1.0558 · 1.0558 (rough estimate)
Brechungsindex
1.525 · 1.5250 (estimate)
Flammpunkt
171 °C/11mm · 171°C/11mm
storage temp.
Sealed in dry,Room Temperature

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 56 reports by companies from 4 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Status: Active Update: 01-11-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/15925

1(2H)-Naphthalenone, 3,4-dihydro-6-methoxy-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryMay cause irritation; [Alfa Aesar MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

wgk
3
tsca
TSCA listed
hs_code
29145000
risk_code
22-36/37/38-20/21/22
hazard_code
Xn,Xi
hazard_note
Irritant

Chemie und Industrie

Verwendung und Herstellung

UsesUsed to make estrane derivatives and 19-norsteroids; [Merck Index]
General Manufacturing Information1(2H)-Naphthalenone, 3,4-dihydro-6-methoxy-: ACTIVE

Anwendungen

Verwenden6-Methoxy-1-tetralone is a reagent useful in the synthesis of (2-(furanyl)vinyl)-1-tetralone chalcones which possesses anticancer agents and inducers of apoptosis.

Darstellung · 1 Eintrag

synthetische(1) Reacting anisole with an acylating agent in Lewis acid and a solvent at the temperature of-10-40 ℃ to generate an intermediate 1, wherein the molar ratio of the Lewis acid to the acylating agent to the anisole is 1-10: 1-10: 1, the Lewis acid is selected from one or more of concentrated sulfuric acid, phosphoric acid, polyphosphoric acid, zinc chloride, aluminum trichloride, superacid and heteropoly acid; (2) the intermediate 1 does not need to be separated, the temperature is raised to 70-120 ℃, and the intermediate 1 continues to react to generate 6-methoxy-1-tetralone; (3) cooling the reaction product, adding water to stop the reaction, extracting, purifying and desolventizing to obtain a crude product of the 6-methoxy-1-tetralone, and refining the crude product by a solvent to obtain a high-purity product.

Vor- und nachgelagerte Produkte

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国药集团化学试剂有限公司86-21-63210123 · [email protected]
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梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

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