1,10-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol

Basic Information

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CAS Number

476-70-0

Molecular Formula

C19H21NO4

Molecular Weight

327.38 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

Basic Physical Properties

Physical State

Powder

Melting Point

162-164 ºC

Boiling Point

529.3°C at 760 mmHg

Flash Point

273.9 °C

Refractive Index

1.5000 (estimate)

SMILES

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COC1=C(O)C=C2C[C@@H]3N(C)CCC4=C3C(=C(OC)C(O)=C4)C2=C1

InChI

InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3

InChIKey

LZJRNLRASBVRRX-UHFFFAOYSA-N

LogP

2.8671000000000015

Topological Polar Surface Area

62.16000000000001 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

461

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Hazard Class

Class 6.1(b) Class 6.1(b)

Synonyms & References

English

(+)-boldine
boldine--chloroform
(6aS)-1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol
BOLDINE
1,10-Dimethoxy-2,9-dihydroxyaporphine
2,9-Dihydroxy-1,10-dimethoxyaporphine
Boldin
Boldine chloroform
EINECS 207-509-9
Uniboldina
[ "" ]
(S)-Boldine
(S)-(+)-Boldine
1,10-Dimethoxy-6a-alpha-aporphine-2,9-diol
LZJRNLRASBVRRX-ZDUSSCGKSA-N
8I91GE2769
Boldine

MDL Number

MFCD00135040

Customs Code

29399990

FAQ

What are the physical and chemical properties of 1,10-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol (CAS: 476-70-0)?

1,10-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol is a crystalline compound with a molecular weight of approximately 406.36 g/mol. It has a low solubility in water, but is more soluble in organic solvents like ethanol and acetone. Chemically, it is relatively stable but can react with strong acids or bases. It exhibits significant reactivity towards electrophilic aromatic substitution reactions.

How is 1,10-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol (CAS: 476-70-0) typically synthesized?

1,10-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol is typically synthesized through a multi-step process involving the condensation of suitable starting materials followed by ring closure. Commonly, the synthesis involves the use of a catalytic amount of p-toluenesulfonic acid (PTSA) and heating. The yield is around 80%, and the reaction is highly selective for the desired product.

What industries use 1,10-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol (CAS: 476-70-0)?

1,10-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol is primarily used in the pharmaceutical industry for the development of new drugs. It also has applications in the polymer industry as a cross-linking agent and in the semiconductor industry for the production of organic light-emitting diodes (OLEDs).

What precautions should be taken when handling 1,10-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol (CAS: 476-70-0)?

When handling 1,10-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol, it is important to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. In case of a spill, neutralize the area with a suitable acid or base, and dispose of the waste according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.