(S)-1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol

Basic Information

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CAS Number

27740-96-1

Molecular Formula

C10H13NO2

Molecular Weight

179.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

257-260 °C

Boiling Point

362.6°C at 760 mmHg

Flash Point

175.4°C

Refractive Index

1.588

SMILES

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CC1C2=CC(=C(C=C2CCN1)O)O

InChI

InChI=1S/C10H13NO2/c1-6-8-5-10(13)9(12)4-7(8)2-3-11-6/h4-6,11-13H,2-3H2,1H3/t6-/m0/s1

InChIKey

IBRKLUSXDYATLG-LURJTMIESA-N

LogP

1.3044999999999998

Topological Polar Surface Area

52.489999999999995 Å²

Hydrogen Bond Donor/Acceptor

3 / 3

Complexity

186

Synonyms & References

English

(-)-1-Methyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline
E80690
1ST160612
Salsolinol1542
S-(-)-Salsolinol
SR-01000838889
SPBio_002815
BPBio1_000656
C09642
Q27890466
27740-96-1
6,7-Isoquinolinediol, 1,2,3,4-tetrahydro-1-methyl-, (1S)-
Prestwick1_000628
9ILS801M65
NS00094134
BSPBio_000596
CS-0213960
CHEBI:113
1,2,3,4-Tetrahydro-1-methyl-(S)-6,7-Isoquinolinediol
(1s)-1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol
CAS-38221-21-5
(-)-(S)-SALSOLINOL
BDBM50448443
HY-113316B
IBRKLUSXDYATLG-LURJTMIESA-N
(1S)-1-methyl-1, 2, 3, 4-tetrahydroisoquinoline-6, 7-diol
6,7-Isoquinolinediol, 1,2,3,4-tetrahydro-1-methyl-, (S)-
NCGC00016840-01
(S)-salsolinol
Prestwick3_000628
Salsolinol

MDL Number

MFCD03423851

FAQ

What are the physical and chemical properties of (S)-1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol (CAS: 27740-96-1)?

(S)-1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol is a white crystalline solid with a molecular weight of approximately 248.27 g/mol. It is slightly soluble in water and more soluble in polar solvents like methanol and ethanol. Chemically, it is reactive towards nucleophiles and can undergo substitution reactions. It is stable in air and light but should be stored in a cool, dark place to prevent degradation.

How is (S)-1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol (CAS: 27740-96-1) typically synthesized?

(S)-1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol is synthesized via a multi-step process involving the reduction of isoquinoline-6,7-dione followed by methylation. Common methods include the use of lithium aluminum hydride (LAH) for reduction and methyl iodide with sodium hydride as a catalyst. The yield is typically around 70-80%, depending on the reaction conditions and purification steps.

What industries use (S)-1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol (CAS: 27740-96-1)?

(S)-1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol finds applications in the pharmaceutical industry as a precursor for drug synthesis and in the polymer industry for the development of novel materials. It is also used in the production of sensors for detecting specific chemical compounds and in semiconductor fabrication processes for its unique electronic properties.

What precautions should be taken when handling (S)-1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol (CAS: 27740-96-1)?

When handling (S)-1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol, it is crucial to wear protective equipment such as gloves, safety glasses, and a lab coat. The substance should be stored in a cool, dry place away from direct sunlight. In case of a spill, it should be cleaned up immediately using appropriate absorbent materials and disposing of the waste in a designated hazardous waste container. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information and emergency procedures.