U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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=CC=C2C(=O)CCCC2=C1

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
149124
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
PubMed

PubMed

TitleDatePubMed
Nonsteroidal estrogens bearing acyl azide functions: potential electrophilic and photoaffinity labeling agents for the estrogen receptor.
1992-05
Desmethylnafoxidine aziridine: an electrophilic affinity label for the estrogen receptor with high efficiency and selectivity.
1987-09
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 Mon Mar 31 21:08:54 GMT 2025
Edited
by admin
on Mon Mar 31 21:08:54 GMT 2025
Record UNII
IA52U30635
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-METHOXY-.ALPHA.-TETRALONE
MI  
Common Name English
NSC-41700
Preferred 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
6-METHOXY-3,4-DIHYDRONAPHTHALENE-1(2H)-ONE
Systematic Name English
Code System Code Type Description
NSC
41700
Created by admin on Mon Mar 31 21:08:54 GMT 2025 , Edited by admin on Mon Mar 31 21:08:54 GMT 2025
PRIMARY
FDA UNII
IA52U30635
Created by admin on Mon Mar 31 21:08:54 GMT 2025 , Edited by admin on Mon Mar 31 21:08:54 GMT 2025
PRIMARY
EPA CompTox
DTXSID6057617
Created by admin on Mon Mar 31 21:08:54 GMT 2025 , Edited by admin on Mon Mar 31 21:08:54 GMT 2025
PRIMARY
ECHA (EC/EINECS)
214-078-0
Created by admin on Mon Mar 31 21:08:54 GMT 2025 , Edited by admin on Mon Mar 31 21:08:54 GMT 2025
PRIMARY
PUBCHEM
14112
Created by admin on Mon Mar 31 21:08:54 GMT 2025 , Edited by admin on Mon Mar 31 21:08:54 GMT 2025
PRIMARY
MERCK INDEX
m7344
Created by admin on Mon Mar 31 21:08:54 GMT 2025 , Edited by admin on Mon Mar 31 21:08:54 GMT 2025
PRIMARY Merck Index
CAS
1078-19-9
Created by admin on Mon Mar 31 21:08:54 GMT 2025 , Edited by admin on Mon Mar 31 21:08:54 GMT 2025
PRIMARY
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966