Brucine hydrochloride

Base Information

• Chemical Name: Brucine hydrochloride
• CAS No.: 5786-96-9
• Molecular Formula: C₂₃H₂₆N₂O₄*ClH
• Molecular Weight: 430.931
• European Community (EC) Number: 677-952-4
• DSSTox Substance ID: DTXSID80884188
• Mol file: 5786-96-9.mol

Synonyms:Brucine hydrochloride;5786-96-9;Brucine HCl;Strychnidin-10-one, 2,3-dimethoxy-, monohydrochloride;Brucine hydrochloride monohydrate;(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;hydrochloride;Strychnidin-10-one, 2,3-dimethoxy-, hydrochloride (1:1);Brucine, monohydrochloride;C23H26N2O4.ClH;Brucinhydrochlorid;C23-H26-N2-O4.Cl-H;SCHEMBL7253414;DTXSID80884188;AKOS016010541;B0671

Chemical Property of Brucine hydrochloride

Chemical Property:

• Vapor Pressure: 1.65E-06mmHg at 25°C
• Boiling Point: 633.7°Cat760mmHg
• Flash Point: 337.1°C
• PSA: 51.24000
• Density: g/cm³
• LogP: 2.91460
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 430.1659350
• Heavy Atom Count: 30
• Complexity: 785

Purity/Quality:

95+% ^*data from raw suppliers

BrucineHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xi,Xn

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C2C(=C1)C34CCN5C3CC6C7C4N2C(=O)CC7OCC=C6C5)OC.Cl
• Isomeric SMILES: COC1=C(C=C2C(=C1)[C@]34CCN5[C@H]3C[C@@H]6[C@@H]7[C@@H]4N2C(=O)C[C@@H]7OCC=C6C5)OC.Cl

Technology Process of Brucine hydrochloride

There total 1 articles about Brucine hydrochloride 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:

brucine (357-57-3) → Brucine hydrochloride (5786-96-9)

Guidance literature:

With sulfuric acid; sodium chloride; In dichloromethane; at 20 ℃; for 1.5h;

DOI:10.1002/chem.200900021

upstream raw materials:

brucine

Refernces