7-Methoxy-2-tetralone - CAS 4133-34-0

Name: 7-Methoxy-2-tetralone
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB024857
Product Name:	7-Methoxy-2-tetralone
CAS:	4133-34-0
Synonyms:	7-methoxy-3,4-dihydro-1H-naphthalen-2-one

Technical Data

IUPAC Name:	7-methoxy-3,4-dihydro-1H-naphthalen-2-one
Description:	7-Methoxy-2-tetralone (CAS# 4133-34-0) is used as a reactant in the synthesis of (-)-Morphine. It is also a substrate for (S)-enantioselective transaminase from Pseudomonas fluorescens.
Molecular Weight:	176.21
Molecular Formula:	C11H12O2
Canonical SMILES:	COC1=CC2=C(CCC(=O)C2)C=C1
InChI:	InChI=1S/C11H12O2/c1-13-11-5-3-8-2-4-10(12)6-9(8)7-11/h3,5,7H,2,4,6H2,1H3
InChI Key:	XEAPZXNZOJGVCZ-UHFFFAOYSA-N
Boiling Point:	124-126 °C (1.5 mmHg)
Melting Point:	27-28 °C
Purity:	98 %
Density:	1.13 g/cm³
Appearance:	Clear yellow to orange liquid after melting
Storage:	0-6 °C
MDL:	MFCD00001730
LogP:	1.75300

GHS Hazard Statement:	H316 (100%): Causes mild skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264+P265, P280, P305+P351+P338, P332+P317, and P337+P317
Signal Word:	Warning

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PMID	Publication Date	Title	Journal
22450568	20120514	Reversible clustering of magnetic nanobiocatalysts for high-performance biocatalysis and easy catalyst recycling	Chemical communications (Cambridge, England)
22056424	20110101	Purification and characterization of a novel (S)-enantioselective transaminase from Pseudomonas fluorescens KNK08-18 for the synthesis of optically active amines	Bioscience, biotechnology, and biochemistry

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
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6