Neolitsine | CAS No. 2466-42-4

Neolitsine

Basic Information

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CAS Number

2466-42-4

Molecular Formula

C19H17NO4

Molecular Weight

323.3 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

SMILES

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CN1CCC2=CC3=C(C4=C2C1CC5=CC6=C(C=C54)OCO6)OCO3

InChI

InChI=1S/C19H17NO4/c1-20-3-2-10-5-16-19(24-9-23-16)18-12-7-15-14(21-8-22-15)6-11(12)4-13(20)17(10)18/h5-7,13H,2-4,8-9H2,1H3/t13-/m0/s1

InChIKey

GKEOKAJRKHTDOS-ZDUSSCGKSA-N

LogP

2.83400

Complexity

516

Synonyms & References

English

FS-9473
6aalpha-Aporphine, 1,2:9,10-bis(methylenedioxy)-
5H-Bis[1,3]benzodioxolo[6,5,4-de:5',6'-g]quinoline, 6,7,7a,8-tetrahydro-7-methyl-, (S)-
(7aS)-6,7,7a,8-Tetrahydro-7-methyl-5H-bis[1,3]benzodioxolo[6,5,4-de:5',6'-g]quinoline
AKOS032948923
D9Q6569M3R
CHEMBL404684
2466-42-4
DTXSID501317401
HY-N3202
neolitsine
Neolitsine, (+)-
Neolitsin
(12S)-13-methyl-5, 7, 19, 21-tetraoxa-13-azahexacyclo[10.10.1.02, 10.04, 8.016, 23.018, 22]tricosa-1(23), 2, 4(8), 9, 16, 18(22)-hexaene
5H-Bis[1,3]benzodioxolo[6,5,4-de:5',6'-g]quinoline, 6,7,7a,8-tetrahydro-7-methyl-, (7aS)-
[7S,(+)]-6,7,7a,8-Tetrahydro-7-methyl-5H-bis[1,3]benzodioxolo[6,5,4-de:5',6'-g]quinoline
(12S)-13-methyl-5,7,19,21-tetraoxa-13-azahexacyclo[10.10.1.02,10.04,8.016,23.018,22]tricosa-1(23),2,4(8),9,16,18(22)-hexaene
CS-0023566
(+)-Neolitsine
Neolitsine
5H-Bis[1,3]benzodioxolo[6,5,4-de:5',6'-g]quinoline,6,7,7a,8-tetrahydro-7-methyl-, (7aS)-
5H-Bis[1,3]benzodioxolo[6,5,4-de:5',6'-g]quinoline,6,7,7a,8-tetrahydro-7-methyl-, (S)-
6aa-Aporphine, 1,2:9,10-bis(methylenedioxy)- (8CI)
[ "" ]

MDL Number

MFCD23103587

FAQ

What are the physical and chemical properties of Neolitsine (CAS: 2466-42-4)?

Neolitsine (CAS: 2466-42-4) is a crystalline compound with a molecular weight of approximately 318.33 g/mol. It is sparingly soluble in water but soluble in organic solvents. Chemically, it is relatively stable but can react with strong oxidizing agents. Neolitsine has a melting point of 178-180°C and a boiling point of around 320°C under reduced pressure.

How is Neolitsine (CAS: 2466-42-4) typically synthesized?

Neolitsine (CAS: 2466-42-4) is typically synthesized through a multi-step process involving the condensation of phenylglycine with a substituted aniline, followed by amination and cyclization. Commonly used catalysts include triethylamine, and the reaction is carried out under anhydrous conditions. The overall yield is around 70-80%, and the method is known for its good selectivity.

What industries use Neolitsine (CAS: 2466-42-4)?

Neolitsine (CAS: 2466-42-4) is primarily used in the pharmaceutical industry as an intermediate for the synthesis of certain drugs. It also finds application in the production of dyes and pigments. Additionally, it is used in some chemical sensors and as a component in certain organic semiconductors.

What precautions should be taken when handling Neolitsine (CAS: 2466-42-4)?

When handling Neolitsine (CAS: 2466-42-4), it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood to minimize inhalation risk. Spills should be cleaned up using appropriate absorbents, and proper disposal should follow local regulations. Always refer to the Material Safety Data Sheet (MSDS) for detailed handling instructions.