4-{[(1R)-6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl]methyl}-2-{[(1R)-1-(4-hydroxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydro-7-isoquinolinyl]oxy}phenol

Basic Information

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CAS Number

2586-96-1

Molecular Formula

C37H42N2O6

Molecular Weight

610.75 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

White powder

Melting Point

95-99°C

Boiling Point

722 °C at 760 mmHg

Flash Point

390.4 °C

Solubility

N/A

Refractive Index

1.61

SMILES

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CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)O)OC4=C(C=CC(=C4)CC5C6=CC(=C(C=C6CCN5C)OC)OC)O)OC

InChI

InChI=1S/C37H42N2O6/c1-38-14-13-26-20-35(43-4)37(22-29(26)30(38)16-23-6-9-27(40)10-7-23)45-33-18-24(8-11-32(33)41)17-31-28-21-36(44-5)34(42-3)19-25(28)12-15-39(31)2/h6-11,18-22,30-31,40-41H,12-17H2,1-5H3/t30-,31-/m1/s1

InChIKey

XCUCMLUTCAKSOZ-FIRIVFDPSA-N

LogP

6.459300000000008

Topological Polar Surface Area

83.86000000000001 Å²

Hydrogen Bond Donor/Acceptor

2 / 8

Complexity

917

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Storage Conditions

2-8℃

Synonyms & References

English

2586-96-1
HY-N0484
CCG-270234
Liensinine
4-[(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-2-({1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl}oxy)phenol
Phenol, 4-((1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl)-2-((1,2,3,4-tetrahydro-1-((4-hydroxyphenyl)methyl)-6-methoxy-2-methyl-7-isoquinolinyl)oxy)-, (R-(R*,R*))-
CHEBI:186021
s9411
Phenol, 4-[[(1R)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl]methyl]-2-[[(1R)-1,2,3,4-tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-7-isoquinolinyl]oxy]-
AS-56226
CS-0009003
1ST158085
AC-34403
SCHEMBL12807599
MFCD03427702
EX-A8013N
AKOS015903080
4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-[[(1R)-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]phenol
H10631
DTXSID80948754
4-[[(1R)-6,7-Dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-[[(1R)-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]phenol
hydroxygenkwanin
Lotus Plumule P.E.
Hiensinine
O903
4-{[(1r)-6,7-dimethoxy-2-methyl-1,2,3

MDL Number

MFCD03427702

FAQ

What is 4-{[(1R)-6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl]methyl}-2-{[(1R)-1-(4-hydroxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydro-7-isoquinolinyl]oxy}phenol (CAS: 2586-96-1)?

4-{[(1R)-6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl]methyl}-2-{[(1R)-1-(4-hydroxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydro-7-isoquinolinyl]oxy}phenol (CAS: 2586-96-1) is a complex organic compound containing multiple methoxy, methyl, and hydroxybenzyl groups attached to a phenol ring. It is a derivative of isoquinoline and exhibits structural features typical of pharmaceutical and synthetic chemistry. Its exact chemical formula and molecular weight require experimental data, but it is known for its potential in drug development due to the presence of bioactive functional groups.

What are the main uses of 4-{[(1R)-6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl]methyl}-2-{[(1R)-1-(4-hydroxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydro-7-isoquinolinyl]oxy}phenol (CAS: 2586-96-1)?

This compound is primarily used in pharmaceutical research as an intermediate for developing drugs targeting neurological or inflammatory conditions. Its complex structure, involving isoquinoline and hydroxybenzyl moieties, makes it valuable for synthesizing bioactive molecules. It may also find applications in organic synthesis and as a component in specialized chemical formulations, though specific industrial or commercial uses are not widely documented.

Is 4-{[(1R)-6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl]methyl}-2-{[(1R)-1-(4-hydroxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydro-7-isoquinolinyl]oxy}phenol (CAS: 2586-96-1) safe?

The safety of 4-{[(1R)-6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl]methyl}-2-{[(1R)-1-(4-hydroxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydro-7-isoquinolinyl]oxy}phenol (CAS: 2586-96-1) depends on handling conditions. As a complex organic compound, it may pose risks such as skin or respiratory irritation. Always follow safety guidelines, use protective equipment, and consult Safety Data Sheets (SDS) for detailed toxicity information and proper handling procedures.

How should 4-{[(1R)-6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl]methyl}-2-{[(1R)-1-(4-hydroxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydro-7-isoquinolinyl]oxy}phenol (CAS: 2586-96-1) be stored?

To ensure stability, store 4-{[(1R)-6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl]methyl}-2-{[(1R)-1-(4-hydroxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydro-7-isoquinolinyl]oxy}phenol (CAS: 2586-96-1) in a cool, dry place (ideally below 25°C), away from light. Keep it in a sealed, airtight container to prevent moisture absorption and degradation. Avoid exposure to incompatible substances and maintain proper storage conditions as per safety regulations.