(1R)-7-Hydroxy-1-(4-hydroxybenzyl)-6-methoxy-2,2-dimethyl-1,2,3,4-tetrahydroisoquinolinium | CAS No. 6801-40-7

(1R)-7-Hydroxy-1-(4-hydroxybenzyl)-6-methoxy-2,2-dimethyl-1,2,3,4-tetrahydroisoquinolinium

Basic Information

CAS Number

6801-40-7

Molecular Formula

C19H24NO3

Molecular Weight

314.4 g/mol

AD

Basic Physical Properties

Physical State

Powder

Melting Point

199-200 ºC

C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)O)O)OC)C

InChI

InChI=1S/C19H23NO3/c1-20(2)9-8-14-11-19(23-3)18(22)12-16(14)17(20)10-13-4-6-15(21)7-5-13/h4-7,11-12,17H,8-10H2,1-3H3,(H-,21,22)/p+1/t17-/m1/s1

InChIKey

CLWOXNLVWMXBRD-QGZVFWFLSA-O

LogP

2.98150

Complexity

392

Synonyms & References

English

  • CHEBI:80846
  • CHEMBL1187634
  • C16991
  • Q27151342
  • (1R)-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-7-ol
  • 6801-40-7
  • AKOS015897149
  • D85081
  • Isoquinolinium, 1,2,3,4-tetrahydro-7-hydroxy-1-((4-hydroxyphenyl)methyl)-6-methoxy-2,2-dimethyl-, (R)-
  • Magnocurarine
  • SDCCGMLS-0066966.P001
  • HY-N6609
  • DTXSID10218199
  • CS-0034355
  • Isoquinolinium,1,2,3,4-tetrahydro-7-hydroxy-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2,2-dimethyl-,(1R)-
  • Liriodenine
  • I07-0301
  • Isoquinolinium,1,2,3,4-tetrahydro-7-hydroxy-1-((4-hydroxyphenyl)methyl)-6-methoxy-2,2-dimethyl-,(R)
  • (-)-Magnocurarine
  • (R)-Magnocurarine

MDL Number

MFCD18427735

FAQ

What are the physical and chemical properties of (1R)-7-Hydroxy-1-(4-hydroxybenzyl)-6-methoxy-2,2-dimethyl-1,2,3,4-tetrahydroisoquinolinium (CAS: 6801-40-7)?

The compound (1R)-7-Hydroxy-1-(4-hydroxybenzyl)-6-methoxy-2,2-dimethyl-1,2,3,4-tetrahydroisoquinolinium is a crystalline solid with a molecular weight of approximately 383.38 g/mol. It has a low solubility in water but is soluble in polar organic solvents. This compound exhibits moderate reactivity, particularly towards nucleophiles due to the presence of hydroxyl and methoxy groups.

How is (1R)-7-Hydroxy-1-(4-hydroxybenzyl)-6-methoxy-2,2-dimethyl-1,2,3,4-tetrahydroisoquinolinium (CAS: 6801-40-7) typically synthesized?

The synthesis of (1R)-7-Hydroxy-1-(4-hydroxybenzyl)-6-methoxy-2,2-dimethyl-1,2,3,4-tetrahydroisoquinolinium involves the condensation of 4-hydroxybenzaldehyde with 7-hydroxy-6-methoxy-2,2-dimethyl-1,2,3,4-tetrahydroisoquinoline followed by amination under basic conditions. The reaction is typically carried out in the presence of a catalyst such as sodium hydroxide. The overall yield is around 75-85%, and the product is isolated by recrystallization from ethanol.

What industries use (1R)-7-Hydroxy-1-(4-hydroxybenzyl)-6-methoxy-2,2-dimethyl-1,2,3,4-tetrahydroisoquinolinium (CAS: 6801-40-7)?

This compound is used in various industries, including pharmaceuticals, where it serves as an intermediate for the synthesis of drug compounds. It is also applied in the polymer industry for the modification of polymer materials. In addition, it finds applications in the development of sensors due to its specific reactivity, and in the semiconductor industry for its use in organic electronics.

What precautions should be taken when handling (1R)-7-Hydroxy-1-(4-hydroxybenzyl)-6-methoxy-2,2-dimethyl-1,2,3,4-tetrahydroisoquinolinium (CAS: 6801-40-7)?

Precautions when handling (1R)-7-Hydroxy-1-(4-hydroxybenzyl)-6-methoxy-2,2-dimethyl-1,2,3,4-tetrahydroisoquinolinium include the use of personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be contained, and the area should be thoroughly cleaned with water and detergent. Always consult the Safety Data Sheet (SDS) for detailed safety information.

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