deoxyaconitine

Base Information

• Chemical Name: deoxyaconitine
• CAS No.: 3175-95-9
• Molecular Formula: C34H47 N O10
• Molecular Weight: 629.748
• Mol file: 3175-95-9.mol

Synonyms:2H-12,3,6a-Ethanylylidene-7,9-methanonaphth[2,3-b]azocine,aconitane-8,13,14,15-tetrol deriv.; 3-Deoxyaconitine; Deoxyaconitine

Chemical Property of deoxyaconitine

Chemical Property:

• Vapor Pressure: 1.87E-19mmHg at 25°C
• Melting Point: 177-180℃
• Boiling Point: 680.6°Cat760mmHg
• PKA: 12.21±0.70(Predicted)
• Flash Point: 365.4°C
• PSA: 133.22000
• Density: 1.33g/cm³
• LogP: 1.61520

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-?Deoxyaconitine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of deoxyaconitine

There total 8 articles about deoxyaconitine 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: 96.0%

3-O-(S-methyl)thiocarbonylaconitine (139617-11-1) → deoxyaconitine (3175-95-9)

Guidance literature:

With tri-n-butyl-tin hydride; In benzene; for 2h; Heating;

DOI:10.1248/cpb.39.2803

Reference yield: 84.0%

3-O-(imidazolylthiocarbonyl)-aconitine (121220-90-4) → 3-deoxyaconitine (3175-95-9)

Guidance literature:

With tri-n-butyl-tin hydride; In benzene; for 3h; Heating;

DOI:10.1016/S0040-4020(01)86133-0

Reference yield:

aconitine powder + jesaconitine → (-)-(A-b)-8β-acetoxy-14α-benzoyloxy-N-ethyl-13β,15α-dihydroxy-1α,6α,16β,18-tetramethoxyaconitane (3175-95-9)

Guidance literature:

upstream raw materials:

3-O-(S-methyl)thiocarbonylaconitine

aconitine

3-O-(imidazolylthiocarbonyl)-aconitine

indaconitine

Refernces

• 1、 -. "Aconitine compounds and analgesic/anti-inflammatory agent containing the same". . . Retrieved 2008/06/13.
• 2、 Mori,Murayama,Bando,Kawahara. "Studies on Aconitum species. XV. Deoxygenation reaction of aconitine type alkaloids". . p. 2803 - 2806. Retrieved 2007/10/02.