13-Methyl-13,14-dihydro[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridine

Basic Information

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CAS Number

3606-45-9

Molecular Formula

C20H15NO4

Molecular Weight

333.34 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

195-196 ºC (acetone )

Solubility

Insuluble (2.6E-3 g/L) (25 ºC),

SMILES

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CN1CC2=C(C=CC3=C2OCO3)C4=C1C5=CC6=C(C=C5C=C4)OCO6

InChI

InChI=1S/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-7H,8-10H2,1H3

InChIKey

CIUHLXZTZWTVFL-UHFFFAOYSA-N

LogP

3.9140000000000024

Topological Polar Surface Area

40.160000000000004 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

530

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

MS-25022
13-methyl-13,14-dihydro-2H,10H-[1,3]dioxolo[4,5-i][1,3]dioxolo[4',5':4,5]benzo[1,2-c]phenanthridine
C05191
Q347588
dihydro-sanguinarine
3H1ZKG80F7
CHEMBL465678
13,14-Dihydro-13-methyl[1,3]benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridin
SCHEMBL420383
3lle
A937419
HY-N0902
dihydroavicine
(1,3)Benzodioxolo(5,6-c)-1,3-dioxolo(4,5-i)phenanthridine, 13,14-dihydro-13-methyl-
DTXSID00189627
Dihydrosanguinarine
BDBM50286637
CHEBI:17209
13,14-Dihydro-13-methyl-[1,3]benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridine
FT-0667147
24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaene
3606-45-9
CS-3819
3arv
F17675
NS00094596
Hydrosanguinarine
24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0^{2,10.0^{4,8.0^{14,22.0^{17,21]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaene
13,14-Dihydrosanguinarine
3as0
AC-34693

MDL Number

MFCD00872066

FAQ

What are the physical and chemical properties of 13-Methyl-13,14-dihydro[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridine (CAS: 3606-45-9)?

13-Methyl-13,14-dihydro[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridine (CAS: 3606-45-9) is a crystalline compound with a molecular weight of approximately 454.3 g/mol. It has limited solubility in organic solvents but is practically insoluble in water. Chemically, it is moderately reactive, showing potential for electrophilic aromatic substitution reactions. Its crystalline form allows for good thermal stability up to 200°C under normal pressure.

How is 13-Methyl-13,14-dihydro[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridine (CAS: 3606-45-9) typically synthesized?

13-Methyl-13,14-dihydro[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridine (CAS: 3606-45-9) can be synthesized via a multi-step process involving the introduction of substituents through electrophilic aromatic substitution. Common methods include the use of Williamson ether synthesis for the introduction of the methyl group, followed by ring closure and oxidation steps. The overall yield is moderate, with selectivity towards the desired product being critical.

What industries use 13-Methyl-13,14-dihydro[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridine (CAS: 3606-45-9)?

13-Methyl-13,14-dihydro[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridine (CAS: 3606-45-9) finds applications in the pharmaceutical industry due to its potential bioactivity. It may also be used in the development of novel materials for electronic sensors and semiconductors, although its specific applications in these areas are still under investigation.

What precautions should be taken when handling 13-Methyl-13,14-dihydro[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridine (CAS: 3606-45-9)?

When handling 13-Methyl-13,14-dihydro[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridine (CAS: 3606-45-9), it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or under a fume hood to minimize inhalation risk. Spills should be cleaned up immediately using appropriate absorbent materials, and chemicals should be stored in well-labeled, tightly sealed containers to prevent contamination. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.