CID 17751047

Base Information

• Chemical Name: CID 17751047
• CAS No.: 71-62-5
• Molecular Formula: C36H51 N O11
• Molecular Weight: 673.801
• Hs Code.: 2929101000
• European Community (EC) Number: 200-758-4
• Metabolomics Workbench ID: 51571
• Pharos Ligand ID: A8FAJ43VU68F
• Wikipedia: Veratridine
• Mol file: 71-62-5.mol

Synonyms:Veratridine

Chemical Property of CID 17751047

Chemical Property:

• Appearance/Colour: powder
• Vapor Pressure: 4.74E-28mmHg at 25°C
• Melting Point: 180oC
• Refractive Index: 1.6630 (estimate)
• Boiling Point: 814.5 °C at 760 mmHg
• PKA: 9.54(at 25℃)
• Flash Point: 446.4 °C
• PSA: 178.61000
• Density: 1.45 g/cm³
• LogP: 1.29390
• Storage Temp.: −20°C
• Solubility.: ethanol: 50 mg/mL
• XLogP3: 1
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 5
• Exact Mass: 673.34621144
• Heavy Atom Count: 48
• Complexity: 1340

Purity/Quality:

99%, ^*data from raw suppliers

Veratridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T+
• Hazard Codes: T+
• Statements: 26/27/28-36/37/38-62-52/53-48/20
• Safety Statements: 26-36/37/39-45-61-36/37-28

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1CCC2C(C3(C(CC4(C5CCC6C7(C5(CC4(C3CN2C1)O)OC6(C(CC7)OC(=O)C8=CC(=C(C=C8)OC)OC)O)C)O)O)O)(C)O
• Isomeric SMILES: C[C@H]1CC[C@H]2[C@@]([C@]3([C@H](C[C@]4([C@@H]5CCC6[C@]7([C@]5(C[C@]4([C@@H]3CN2C1)O)O[C@@]6(C(CC7)OC(=O)C8=CC(=C(C=C8)OC)OC)O)C)O)O)O)(C)O
• Description: This steroidal alkaloid from Veratrum viride was given this name by Bosetti. It is almost certainly identical with the amorphous veratrine isolated by Schmidt and Koppen, Merck, and Wright and Luff. The base is a colourless, amorphous powder which melts over a wide range. It has [α]22D + 8.0° (EtOH) and yields a sulphate nonahydrate which forms colourless silky needles that resinify in air. The nitrate is only sparingly soluble in H2O. The solution of the alkaloid in H2SO4 becomes orange-red and eventually crimson with a blue fluorescence while that in HCI is colourless. Alkaline hydrolysis furnishes veratric acid and cevine.
• Uses: Veratridine causes Na+ channels to stay open during a sustained membrane depolarization by abolishing inactivation.?This, in turn, opens voltage-activated calcium channels, thus increasing intracellular calcium content and inducing neurotransmitter release. Alkaloid neurotoxin which depolarizes excitable tissue; used to increase membrane sodium permeability.

Technology Process of CID 17751047

There total 2 articles about CID 17751047 which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

3,4-dimethoxybenzoic acid chloride (3535-37-3) → veratridine (71-62-5)

Guidance literature:

With pyridine; benzene;

Reference yield:

→ Veratridin (71-62-5,47868-85-9,125544-15-2)

Guidance literature:

Bromveratridin, H2, Pd/C;

DOI:10.1002/jlcr.2580150174

Reference yield: 14.0%

methanol (67-56-1) + veratridine (71-62-5) → 4-methoxy veratridine (1028591-36-7)

Guidance literature:

With cation-exchange resin Dowex 50Wx₄; at 55 - 70 ℃; for 27h;

DOI:10.1016/j.bmc.2007.12.037

upstream raw materials:

3,4-dimethoxybenzoic acid chloride

Downstream raw materials:

Veratric acid

Cevin

4-methoxy veratridine

Refernces

UNEXPECTED REGIOSPECIFICITY IN PHOTOCHEMICAL α-CLEAVAGE OF HYDRINDANONES.

10.1016/S0040-4039(01)91553-9

The research investigates the unexpected regiospecificity in the photochemical α-cleavage of hydrindanones derived from triterpenes. The study focuses on the photolysis of trans- and cis-hydrindanones, specifically compounds like 22,29,30-trinorhopan-21-one and 22,29,30-trinor-(17aH)-hopan-21-one in the hopane series, and analogous compounds in the lupane series. The trans-hydrindanones were found to cleave predominantly on the least substituted side of the carbonyl group, yielding unsaturated aldehydes, while the cis-hydrindanones cleaved on the more highly substituted side, resulting in methyl esters. The regiospecificity was shown to be strictly stereochemistry-dependent. The chemicals involved in the research include the starting materials such as hopane and lupane precursors, solvents like degassed anhydrous methanol, and the reaction products like unsaturated aldehydes and methyl esters. The study utilized techniques such as capillary gas chromatography and GC-mass spectrometry for analysis. The findings suggest that pure compounds can be obtained in high yields through this photoinduced cleavage, which could have synthetic applications. Further investigations into the kinetic aspects and quantum efficiencies of these reactions are proposed to elucidate the underlying mechanisms.

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