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

6-Methoxy-1,2,3,4-tetrahydronaphthalen-2-one

HCID 75582CAS 2472-22-2

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Grundinformationen

Standard-SMILES: COc1ccc2c(c1)CCC(=O)C2
InChIKey: RMRKDYNVZWKAFP-UHFFFAOYSA-N
Summenformel: C11H12O2
Durchschnittliche Molmasse: 176,21 g/mol
Monoisotopische Masse: 176,08372962

Namen und Bezeichner

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

Namen und Synonyme

6-Methoxy-2-tetralone2472-22-26-Methoxy-1,2,3,4-tetrahydronaphthalen-2-oneEINECS 219-592-9DTXSID50179452RefChem:543539DTXCID801019433,4Dihydro6methoxy2(1H)naphthalenone6Methoxy1,2,3,4tetrahydronaphthalen2one219-592-96-methoxy-3,4-dihydronaphthalen-2(1H)-one6-methoxy-3,4-dihydro-1H-naphthalen-2-one

Weitere Namen anzeigen

6-Methoxytetralin-2-oneCompound Fr122886-methoxy-2-Tetrlone4-dihydro-6-Methoxy-6-Methoxy-2-tetralone>6-METHOXY-2-TETRALONE 95%6-Methoxy-2-tetralone,98%

6-methoxyl-2-tetralone2(1H)-Naphthalenone, 3,4-dihydro-6-methoxy-MFCD000017296-Methoxy-3,4-dihydro-2(1H)-naphthalenone2672-22-23,4-DIHYDRO-6-METHOXYNAPHTHALEN-2(1H)-ONE3,4-Dihydro-6-methoxy-2(1H)-naphthalenoneMaybridge4_003003

Datenbank-Bezeichner

CAS: 2472-22-2
PubChem CID: 75582
DTXSID: DTXSID50179452
ChEMBL: CHEMBL445805
UNII: LAV9W5N9D9
EC Number: 219-592-9
Nikkaji: J80.498C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,6
Polarare Oberfläche (TPSA): 26,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 200

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Aromatic Ketones

Physical DescriptionYellow to red-orange solid; mp = 33-35 deg C; [Acros Organics MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 28 · 28-35 °C
Siedepunkt: 114 · 114-116 °C (0.2 mmHg)
Dichte: 1.0431 · 1.0431 (rough estimate)
Brechungsindex: 20 · n20/D 1.5645(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: 2 · 2-8°C
Aggregatzustand: Crystalline Low Melting Solid
Farbe: Light yellow-beige to orange
BRN: 513418 · 513418
InChI: InChI=1S/C11H12O2/c1-13-11-5-3-8-6-10(12)4-2-9(8)7-11/h3,5,7H,2,4,6H2,1H3
InChIKey: RMRKDYNVZWKAFP-UHFFFAOYSA-N
SMILES: C1C2=C(C=C(OC)C=C2)CCC1=O
CAS Datenbank: 2472 · 2472-22-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): 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.

Gefahrenhinweise

Hazards SummaryMay cause irritation; [Acros Organics MSDS] See 6-Methoxy-alpha-tetralone and 1-Tetralone.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29145090
hazard_code: Xi
safety_code: 24/25
hazard_class: IRRITANT
Speicherklasse: 10 - Combustible liquids

Chemie und Industrie

Anwendungen · 2 Einträge

Beschreibung6-methoxy-2-tetralone has been selected as the starting material for the synthesis of many steroidal compounds, including 2-aminotetalin derivatives, which exhibit antifungal activities, tetrahydro benzocycloheptane and many terpenoid compounds. 6-methoxy-2-tetralone is more expensive, difficult to synthesize, and unstable in comparison to 6-methoxy-1-tetralone[1].

Verwenden6-Methoxy-3,4-dihydro-2(1H)-naphthalenone was used in the synthesis of 1, 2, 3, 4-tetrahydro-2-naphthylamine derivatives.