5-Methoxy-2-tetralone - CAS 32940-15-1

Name: 5-Methoxy-2-tetralone
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB021490
Product Name:	5-Methoxy-2-tetralone
CAS:	32940-15-1
Synonyms:	5-methoxy-3,4-dihydro-1H-naphthalen-2-one

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-methoxy-3,4-dihydro-1H-naphthalen-2-one
Description:	Intermediate in the production of Rotigotine.
Molecular Weight:	176.21
Molecular Formula:	C11H12O2
Canonical SMILES:	COC1=CC=CC2=C1CCC(=O)C2
InChI:	InChI=1S/C11H12O2/c1-13-11-4-2-3-8-7-9(12)5-6-10(8)11/h2-4H,5-7H2,1H3
InChI Key:	MDAIAXRTLTVEOU-UHFFFAOYSA-N
Boiling Point:	330 °C at 760 mmHg
Density:	1.124 g/cm³
MDL:	MFCD00064958
LogP:	1.75300

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[87-88-7]C6H2Cl2O4
Chloranilic acid
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]C11H21ClO
Undecanoyl chloride
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P272, P273, P280, P301+P312, P302+P352, P321, P330, P332+P313, P333+P313, P362, P363, P391, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-113234057-A	Preparation method of rotigotine	20210603
CN-113233964-A	Synthesis method of 5-methoxy-2-tetralone	20210514
CN-112142544-A	Method for hydrogenolysis of halide	20190627
WO-2020212543-A1	Compounds for optically active devices	20190418
CN-111393309-A	Preparation method of (S) -1,2,3, 4-tetrahydro-5-methoxy-N-propyl-2-naphthylamine hydrochloride	20190102

Complexity:	200
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	176.083729621
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	176.083729621
Rotatable Bond Count:	1
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6