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Details

Stereochemistry ACHIRAL
Molecular Formula C11H12O2
Molecular Weight 176.2118
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-METHOXY-.ALPHA.-TETRALONE

SMILES

COC1=CC2=C(C=C1)C(=O)CCC2

InChI

InChIKey=MNALUTYMBUBKNX-UHFFFAOYSA-N
InChI=1S/C11H12O2/c1-13-9-5-6-10-8(7-9)3-2-4-11(10)12/h5-7H,2-4H2,1H3

HIDE SMILES / InChI
Molecular Formula C11H12O2
Molecular Weight 176.2118
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

6-Methoxy-alpha-tetralone is the starting materials in the synthesis of several complex biologically active compounds. For example, syntheses of derivatives of oestrane and 19-norsteroids, Desmethylnafoxidine aziridine and others.

Originator

Robinson, W.S.|Robinson, R.
1
Sources: DOI: 10.1039/JR9350001285
Curator's Comment: Donald G. Thomas, Alan H. Nathan DOI: 10.1021/ja01181a103

Approval Year

Unknown
139594
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
PubMed

PubMed

TitleDatePubMed
Desmethylnafoxidine aziridine: an electrophilic affinity label for the estrogen receptor with high efficiency and selectivity.
1987 Sep
Nonsteroidal estrogens bearing acyl azide functions: potential electrophilic and photoaffinity labeling agents for the estrogen receptor.
1992 May
Patents

Patents

US4147795
1
US6608212
1

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Unknown
Substance Class Chemical
Created
by admin
on Sat Dec 16 02:08:38 GMT 2023
Edited
by admin
on Sat Dec 16 02:08:38 GMT 2023
Record UNII
IA52U30635
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-METHOXY-.ALPHA.-TETRALONE
MI  
Common Name English
6-METHOXY-1-OXO-1,2,3,4-TETRAHYDRONAPHTHALENE
Systematic Name English
1,2,3,4-TETRAHYDRO-6-METHOXY-1-NAPHTHALENONE
Systematic Name English
6-METHOXY-3,4-DIHYDRO-2H-NAPHTHALEN-1-ONE
Systematic Name English
6-METHOXY-1-TETRALONE
Systematic Name English
1-OXO-1,2,3,4-TETRAHYDRO-6-METHOXYNAPHTHALENE
Systematic Name English
6-METHOXY-1,2,3,4-TETRAHYDRONAPHTHALEN-1-ONE
Systematic Name English
3,4-DIHYDRO-6-METHOXY-1(2H)-NAPHTHALENONE
Systematic Name English
6-METHOXY-3,4-DIHYDRO-1(2H)-NAPHTHALENONE
Systematic Name English
6-METHOXY-.ALPHA.-TETRALONE [MI]
Common Name English
NSC-41700
Code English
6-METHOXY-3,4-DIHYDRONAPHTHALENE-1(2H)-ONE
Systematic Name English
Code System Code Type Description
NSC
41700
Created by admin on Sat Dec 16 02:08:38 GMT 2023 , Edited by admin on Sat Dec 16 02:08:38 GMT 2023
PRIMARY
FDA UNII
IA52U30635
Created by admin on Sat Dec 16 02:08:38 GMT 2023 , Edited by admin on Sat Dec 16 02:08:38 GMT 2023
PRIMARY
EPA CompTox
DTXSID6057617
Created by admin on Sat Dec 16 02:08:38 GMT 2023 , Edited by admin on Sat Dec 16 02:08:38 GMT 2023
PRIMARY
ECHA (EC/EINECS)
214-078-0
Created by admin on Sat Dec 16 02:08:38 GMT 2023 , Edited by admin on Sat Dec 16 02:08:38 GMT 2023
PRIMARY
PUBCHEM
14112
Created by admin on Sat Dec 16 02:08:38 GMT 2023 , Edited by admin on Sat Dec 16 02:08:38 GMT 2023
PRIMARY
MERCK INDEX
m7344
Created by admin on Sat Dec 16 02:08:38 GMT 2023 , Edited by admin on Sat Dec 16 02:08:38 GMT 2023
PRIMARY Merck Index
CAS
1078-19-9
Created by admin on Sat Dec 16 02:08:38 GMT 2023 , Edited by admin on Sat Dec 16 02:08:38 GMT 2023
PRIMARY
NIH
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