brucine N-oxide hydrate

Base Information

• Chemical Name: brucine N-oxide hydrate
• CAS No.: 17301-81-4
• Molecular Formula: C23H26 N2 O5
• Molecular Weight: 410.47
• European Community (EC) Number: 241-328-6
• NSC Number: 118079,118057
• DSSTox Substance ID: DTXSID20938270
• Wikidata: Q82914551
• Mol file: 17301-81-4.mol

Synonyms:BrucineN-oxide (6CI); Brucine, 19-oxide (8CI);4,6-Methano-6H,14H-indolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinoline,strychnidin-10-one deriv.; Brucine Nb-oxide; NSC 118057; NSC 118079

Chemical Property of brucine N-oxide hydrate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 77.43000
• Density: g/cm³
• LogP: 2.14610
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 410.18417193
• Heavy Atom Count: 30
• Complexity: 832

Purity/Quality:

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

BRUCINE N-OXIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C2C(=C1)C34CC[N+]5(C3CC6C7C4N2C(=O)CC7OCC=C6C5)[O-])OC
• Uses: Brucine N-Oxide Hydrate is an alkaloid with pharmacological curative activity on alcohol intakes. Also functions as an alkaloid in rat plasma sample that is used in pharmacokinetic studies.

Technology Process of brucine N-oxide hydrate

There total 5 articles about brucine N-oxide hydrate 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: 95.0%

brucine (357-57-3) → brucine N-oxide (17301-81-4)

Guidance literature:

With dihydrogen peroxide; In methanol; at 40 ℃; for 4h;

DOI:10.1016/j.tetlet.2008.01.103

Reference yield:

10,11-dihydroxystrychnine (19443-00-6) → brucine N-oxide (17301-81-4)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. H₂O₂

2: aq. NaOH

With sodium hydroxide; dihydrogen peroxide;

Reference yield:

2,3-dihydroxy-19α-oxy-strychnidin-10-one (19879-79-9) + dimethyl sulfate (77-78-1) → brucine N-oxide (17301-81-4)

Guidance literature:

With sodium hydroxide;

upstream raw materials:

2,3-dihydroxy-19α-oxy-strychnidin-10-one

dimethyl sulfate

brucine

10,11-dihydroxystrychnine

Downstream raw materials:

brucine

brucine

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