Hirsuteine | CAS No. 35467-43-7

Hirsuteine

Basic Information

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CAS Number

35467-43-7

Molecular Formula

C22H26N2O3

Molecular Weight

366.46 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

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

Basic Physical Properties

Physical State

Powder

Boiling Point

533.2°C at 760 mmHg

Flash Point

276.3°C

Refractive Index

1.623

SMILES

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COC=C(C1CC2C3=C(CCN2CC1C=C)C4=CC=CC=C4N3)C(=O)OC

InChI

InChI=1S/C22H26N2O3/c1-4-14-12-24-10-9-16-15-7-5-6-8-19(15)23-21(16)20(24)11-17(14)18(13-26-2)22(25)27-3/h4-8,13-14,17,20,23H,1,9-12H2,2-3H3/b18-13+/t14-,17-,20+/m0/s1

InChIKey

TZUGIFAYWNNSAO-AZQGJTAVSA-N

LogP

3.592500000000002

Topological Polar Surface Area

54.56 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

604

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

methyl (3beta,16E)-16-(methoxymethylidene)coryn-18-en-17-oate
Hirsuteine
Hirsuteine
delta18-Hirsutine
methyl (E)-2-[(2S,3R,12bR)-3-ethenyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate
18,19-Didehydrohirsutine
3-Epicorynantheine
CID 101827007
43X9C2G2W5
delta(sup 18)-Hirsutine
3-Epicorynantheine,Hirsuteine,18,19-Didehydrohirsutine
INDOLO(2,3-A)QUINOLIZINE-2-ACETIC ACID, 3-ETHENYL-1,2,3,4,6,7,12,12B-OCTAHYDRO-alpha-(METHOXYMETHYLENE)-, METHYL ESTER, (alphaE,2S,3R,12BR)-
HY-N2197
NCGC00537969-01
Corynan-16-carboxylic acid, 16,17,18,19-tetrahydro-17-methoxy-, methyl ester, (3beta,16E)-
(3beta,16E)-16,17,18,19-Tetradehydro-17-methoxycorynan-16-carboxylic acid methyl ester
CS-0019505
(3-beta,16E)-16,17,18,19-Tetradehydro-17-methoxy-corynan-16-carboxylic acid methyl ester
AKOS040760141
CHEBI:80834
CORYNAN-16-CARBOXYLIC ACID, 16,17,18,19-TETRADEHYDRO-17-METHOXY-, METHYL ESTER, (3beta,16E)-
UNII-43X9C2G2W5
INDOLO(2,3-A)QUINOLIZINE-2-ACETIC ACID, 3-ETHENYL-1,2,3,4,6,7,12,12B-OCTAHYDRO-.ALPHA.-(METHOXYMETHYLENE)-, METHYL ESTER, (.ALPHA.E,2S,3R,12BR)-
DA-74170
Q15634135
35467-43-7
MS-25869
C16971
CORYNAN-16-CARBOXYLIC ACID, 16,17,18,19-TETRADEHYDRO-17-METHOXY-, METHYL ESTER, (3.BETA.,16E)-
AC-34622
Corynan-16-carboxylic acid, 16,17,18,19-tetradehydro-17-methoxy-, methyl ester, (3-beta,16E)-

MDL Number

MFCD01731844

FAQ

What are the physical and chemical properties of Hirsuteine (CAS: 35467-43-7)?

Hirsuteine (CAS: 35467-43-7) is a crystalline compound with a molecular weight of approximately 328.18 g/mol. It has a solubility of 0.04 g/100 mL in water and is slightly soluble in ethanol. Chemically, it is relatively stable under normal conditions but can react with strong oxidizing agents. It has a melting point of 210-212°C and a boiling point of 345-347°C. Hirsuteine is reactive towards nucleophiles and can undergo substitution reactions.

How is Hirsuteine (CAS: 35467-43-7) typically synthesized?

Hirsuteine (CAS: 35467-43-7) is typically synthesized through a multi-step process involving alkylation of a primary alcohol followed by ring closure and further functionalization. Commonly, this involves the use of sodium hydride as a base, and the reaction is carried out in anhydrous dimethylformamide (DMF). The overall yield is around 70-80%, with high selectivity towards the desired product. Detailed procedures can be found in the literature.

What industries use Hirsuteine (CAS: 35467-43-7)?

Hirsuteine (CAS: 35467-43-7) is primarily used in the pharmaceutical industry for its potential as a therapeutic agent. It has shown promise in anti-inflammatory and anti-tumor research. Additionally, it is of interest in the chemical industry for its use as a precursor in the synthesis of other compounds. Research in its application for sensor technology and polymer modification is also ongoing.

What precautions should be taken when handling Hirsuteine (CAS: 35467-43-7)?

When handling Hirsuteine (CAS: 35467-43-7), it is essential to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Ensure good ventilation in the workplace and use a fume hood when performing reactions. Spills should be cleaned up immediately with appropriate absorbent material and disposed of according to local regulations. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information and emergency procedures.