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Merck
CN

87649

(S)-(+)-1,2,3,4-Tetrahydro-1-naphthol

puriss., ≥99.0% (sum of enantiomers, GC)

Synonym(s):

(S)-(+)-α-Tetralol

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About This Item

Empirical Formula (Hill Notation):
C10H12O
CAS Number:
53732-47-1
Molecular Weight:
148.20
UNSPSC Code:
12352002
NACRES:
NA.22
PubChem Substance ID:
329769591
MDL number:
MFCD00063006
Beilstein/REAXYS Number:
2208779

Key Documents

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Product Name

(S)-(+)-1,2,3,4-Tetrahydro-1-naphthol, puriss., ≥99.0% (sum of enantiomers, GC)

InChI

1S/C10H12O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10-11H,3,5,7H2/t10-/m0/s1

SMILES string

O[C@H]1CCCc2ccccc12

InChI key

JAAJQSRLGAYGKZ-JTQLQIEISA-N

grade

puriss.

assay

≥99.0% (sum of enantiomers, GC)

form

crystals

optical activity

[α]20/D +33±1°, c = 2.5% in chloroform

optical purity

enantiomeric ratio: 99:1 (GC)

mp

37-39 °C

Gene Information

human ... UGT2B17(7367), UGT2B7(7364)

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pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Urmi Dhagat et al.
Bioorganic & medicinal chemistry letters, 20(17), 5274-5276 (2010-07-27)
A comparison of the structures and kinetic properties of human 20alpha-hydroxysteroid dehydrogenase (AKR1C1) and its mutant enzymes (Leu308Val and Leu308Ala) indicates that Leu308 is a selectivity determinant for substrate binding. While the Leu308Val mutation improved the catalytic efficiency (k(cat)/K(m)) of
Ingo Bichlmaier et al.
Journal of medicinal chemistry, 49(5), 1818-1827 (2006-03-03)
A set of 28 enantiomers comprising rigid and flexible secondary alcohols was synthesized by the asymmetric Corey-Bakshi-Shibata reduction. The enantiomerically pure alcohols were subjected to enzymatic glucuronidation assays employing the human UDP-glucuronosyltransferases (UGTs) 2B7 and 2B17. Both UGTs displayed high

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