CID 4526188

Base Information

Chemical Name:CID 4526188
CAS No.:6900-87-4
Molecular Formula:C33H45 N O10
Molecular Weight:615.71
Hs Code.:29399990
European Community (EC) Number:683-141-6
Wikidata:Q110077565
Mol file:6900-87-4.mol

Synonyms:hypaconitine;hypaconitine hydrobromide

Suppliers and Price of CID 4526188

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Usbiological
Hypaconitine
10mg
$ 390.00

TRC
Hypaconitine
50mg
$ 580.00

JR MediChem
Hypaconitine 98%
500mg
$ 1680.00

JR MediChem
Hypaconitine 98%
100mg
$ 448.00

JR MediChem
Hypaconitine 98%
20mg
$ 128.00

DC Chemicals
Hypaconitine >98%,StandardReferencesGrade
20 mg
$ 280.00

Crysdot
Hypaconitine 98+%
100mg
$ 205.00

Crysdot
Hypaconitine 98+%
25mg
$ 80.00

Crysdot
Hypaconitine 98+%
10mg
$ 40.00

Crysdot
Hypaconitine 98+%
50mg
$ 125.00

Total 60 raw suppliers

Chemical Property of CID 4526188

Chemical Property:

Vapor Pressure:6.18E-19mmHg at 25°C
Melting Point:197～198℃
Boiling Point:671.3oC at 760 mmHg
PKA:12.21±0.70(Predicted)
Flash Point:359.8oC
PSA：133.22000
Density:1.35g/cm3
LogP:1.22510
XLogP3:0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:10
Exact Mass:615.30434663
Heavy Atom Count:44
Complexity:1160

Purity/Quality:

99%, ^*data from raw suppliers

Hypaconitine ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Safety Statements: 24/25

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)OC12C3C(CC(C3OC(=O)C4=CC=CC=C4)(C(C1O)OC)O)C56C(CCC7(C5C(C2C6N(C7)C)OC)COC)OC

Technology Process of CID 4526188

There total 4 articles about CID 4526188 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: 94.0%

: 139617-07-5
3-O-(S-methyl)thiocarbonylmesaconitine

: 6900-87-4,111612-41-0
hypaconitine

Guidance literature:: With tri-n-butyl-tin hydride; In benzene; for 2h; Heating;
DOI:10.1248/cpb.39.2803

Reference yield: 92.0%

: 121236-31-5
3-O-(imidazolylthiocarbonyl)-mesaconitine

: 6900-87-4
hypaconitine

Guidance literature:: With tri-n-butyl-tin hydride; In benzene; at 80 ℃;
DOI:10.1016/S0040-4020(01)86133-0

Reference yield:

: 3327-35-3
N-desethylaconitine

: 6900-87-4
hypaconitine

Guidance literature:: Multi-step reaction with 3 steps

1: 90 percent / CaCO₃ / diethyl ether; methanol / 2 h / Heating

2: 97 percent / 1,2-dichloro-ethane / 2.5 h / 80 °C

3: 92 percent / n-Bu₃SnH / benzene / 80 °C

With tri-n-butyl-tin hydride; calcium carbonate; In methanol; diethyl ether; 1,2-dichloro-ethane; benzene;
DOI:10.1016/S0040-4020(01)86133-0