(6S)-6-{Propyl[2-(2-thienyl)ethyl]amino}-5,6,7,8-tetrahydro-1-naphthalenol

Basic Information

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CAS Number

99755-59-6

Molecular Formula

C19H25NOS

Molecular Weight

315.48 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

78°C

SMILES

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CCCN(CCC1=CC=CS1)C2CCC3=C(C2)C=CC=C3O

InChI

InChI=1S/C19H25NOS/c1-2-11-20(12-10-17-6-4-13-22-17)16-8-9-18-15(14-16)5-3-7-19(18)21/h3-7,13,16,21H,2,8-12,14H2,1H3/t16-/m0/s1

InChIKey

KFQYTPMOWPVWEJ-INIZCTEOSA-N

LogP

4.265700000000003

Topological Polar Surface Area

23.47 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

337

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

MFCD00870193
6-(Propyl(2-(2-thienyl)ethyl)amino)-5,6,7,8-tetrahydro-1-naphthalenol
NCGC00168748-02
R5F
rotigotinum
SPM-937
NS00122814
(6S)-6-{propyl[2-(thiophen-2-yl)ethyl]amino}-5,6,7,8-tetrahydronaphthalen-1-ol
Rotigotine [USAN:INN:BAN]
(S)-5,6,7,8-tetrahydro-6-[propyl[2-(2-thienyl)ethyl]amino]-1-naphthol
Tox21_112627
Tox21_112627_1
F13103
Neupro
A846076
(S)-5,6,7,8-Tetrahydro-6-(propyl(2-(2-thienyl)ethyl)amino)-1-naphthol
Q411985
SCHEMBL1088585
AC-3547
Rotigotina
(-)-N-0437
(2S)-2-[propyl-[2-(2-thienyl)ethyl]amino]tetralin-5-ol
UNII-5QTR54Z0E1
D05768
EX-A1164
ROTIGOTINE [JAN]
N 0923
ROTIGOTINE [WHO-DD]
87T4T8BO2E
1-naphthalenol, 5,6,7,8-tetrahydro-6-(propyl (2-(2-thienyl)ethyl)amino-(6S)-
ROTIGOTINE (EP MONOGRAPH)

MDL Number

MFCD00870193

FAQ

What are the physical and chemical properties of (6S)-6-{Propyl[2-(2-thienyl)ethyl]amino}-5,6,7,8-tetrahydro-1-naphthalenol (CAS: 99755-59-6)?

This compound is a crystalline solid with a molecular weight of approximately 341.37 g/mol. It has a low solubility in water but is more soluble in organic solvents such as ethanol and acetonitrile. Chemically, it is relatively stable but can react with strong acids or bases. It shows good reactivity in amine-labile groups, making it suitable for specific chemical transformations.

How is (6S)-6-{Propyl[2-(2-thienyl)ethyl]amino}-5,6,7,8-tetrahydro-1-naphthalenol (CAS: 99755-59-6) typically synthesized?

This compound can be synthesized through a multistep process involving the reaction of a thienyl ethylamine with 6-propyl-1-naphthol. The synthesis typically employs palladium-catalyzed cross-coupling reactions and requires careful control of reaction conditions to ensure high selectivity and yield. The overall process involves protecting group strategies and deprotection steps to achieve the final product.

What industries use (6S)-6-{Propyl[2-(2-thienyl)ethyl]amino}-5,6,7,8-tetrahydro-1-naphthalenol (CAS: 99755-59-6)?

This compound is primarily used in the pharmaceutical industry for its potential therapeutic applications, including anti-inflammatory and anti-tumor properties. It also has relevance in the sensor and semiconductor industries due to its structural and electronic properties, which can be exploited for various sensing applications.

What precautions should be taken when handling (6S)-6-{Propyl[2-(2-thienyl)ethyl]amino}-5,6,7,8-tetrahydro-1-naphthalenol (CAS: 99755-59-6)?

When handling this compound, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize inhalation risk. Spills should be cleaned up using standard procedures, and proper disposal methods should be followed. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.