2,3-Dimethoxystrychnidin-10-one hydrate (1:1)

Basic Information

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CAS Number

5892-11-5

Molecular Formula

C23H28N2O5

Molecular Weight

430.5 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

175-178 °C (dec.)

Boiling Point

689.9 ℃/760 mmHg

Water Solubility

Soluble in methanol. Partially soluble Miscible with water.

Flash Point

371℃

SMILES

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COC1=C(C=C2C(=C1)C34CCN5C3CC6C7C4N2C(=O)CC7OCC=C6C5)OC.O.O

InChI

InChI=1S/C23H26N2O4.H2O/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18;/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3;1H2/t13-,18-,19-,21-,22-,23+;/m0./s1

InChIKey

IEJIBKWJYHZFNW-SUJBTXFYSA-N

LogP

0.46029999999999976

Topological Polar Surface Area

114.24000000000001 Å²

Hydrogen Bond Donor/Acceptor

4 / 8

Complexity

785

Safety Information

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Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

DTXSID90932588
J-008104
Brucine dihydrate
10,11-Dimethoxystrychnine
5892-11-5
Strychnidin-10-one,2,3-dimethoxy-,hydrate(1:2)
10,11-Dimethoxystrychnine Dihydrate
SCHEMBL6794678
145428-94-0
(4aR,5aS,8aR,13aS,15aS,15bR)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one;dihydrate
(S)-TERT-BUTYL 3-AMINO-3-PHENYLPROPANOATE
MC-31-BC

MDL Number

MFCD00005942

FAQ

What are the physical and chemical properties of 2,3-Dimethoxystrychnidin-10-one hydrate (CAS: 5892-11-5)?

2,3-Dimethoxystrychnidin-10-one hydrate (CAS: 5892-11-5) is a crystalline compound with a molecular weight of approximately 302.25 g/mol. It has a solubility of about 0.5 g/100 mL in water. Chemically, it is relatively stable but can react with strong acids and bases. It forms a 1:1 hydrate with water, which affects its solubility and reactivity.

How is 2,3-Dimethoxystrychnidin-10-one hydrate (CAS: 5892-11-5) typically synthesized?

2,3-Dimethoxystrychnidin-10-one hydrate (CAS: 5892-11-5) is typically synthesized through a condensation reaction between 2,3-dimethoxystrychnine and acetic anhydride, followed by hydrolysis to form the hydrate. Common catalysts include phosphoric acid, and the reaction is conducted under mild conditions to ensure high selectivity and yield.

What industries use 2,3-Dimethoxystrychnidin-10-one hydrate (CAS: 5892-11-5)?

2,3-Dimethoxystrychnidin-10-one hydrate (CAS: 5892-11-5) is primarily used in the pharmaceutical industry for the synthesis of medicinal compounds. It also has potential applications in the polymer industry for the development of specialized polymers and in the sensor industry for the creation of advanced sensor materials.

What precautions should be taken when handling 2,3-Dimethoxystrychnidin-10-one hydrate (CAS: 5892-11-5)?

When handling 2,3-Dimethoxystrychnidin-10-one hydrate (CAS: 5892-11-5), it is essential to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. The substance should be handled in a well-ventilated area or a fume hood to avoid inhalation of dust or vapors. Spills should be cleaned up using appropriate absorbents, and the area should be thoroughly ventilated. Always refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.