Chelerythrine hydroxide

Base Information

• Chemical Name: Chelerythrine hydroxide
• CAS No.: 478-03-5
• Deprecated CAS: 6471-86-9
• Molecular Formula: C21H18NO4
• Molecular Weight: 348.37
• NSC Number: 76023
• UNII: 65ML87R6OI
• DSSTox Substance ID: DTXSID60963940
• Wikidata: Q27263891
• Metabolomics Workbench ID: 125888
• ChEMBL ID: CHEMBL1971693
• Mol file: 478-03-5.mol

Synonyms:chelerythrine;chelerythrine chloride;chelerythrine hydroxide;chelerythrine sulfate;norchelerythrine

Chemical Property of Chelerythrine hydroxide

Chemical Property:

• Boiling Point: 711.4oC at 760mmHg
• Flash Point: 219.3oC
• PSA: 40.80000
• Density: 1.36g/cm3
• LogP: 3.71660
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 365.12632271
• Heavy Atom Count: 27
• Complexity: 516

Purity/Quality:

99% ^*data from raw suppliers

1,2-Dimethoxy-12-methyl-[1,3]dioxolo-[4',5':4,5]benzo[1,2-c]phenanthridin-12-ium 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+]1=C2C(=C3C=CC(=C(C3=C1)OC)OC)C=CC4=CC5=C(C=C42)OCO5.[OH-]

Technology Process of Chelerythrine hydroxide

There total 11 articles about Chelerythrine hydroxide 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:

2-(3-hydroxy-4-methoxyphenyl)-6,7-methylenedioxy-1-(N-methylformamido)naphthalene (111154-41-7) → chelerythrine (478-03-5)

Guidance literature:

Multi-step reaction with 4 steps

2: CsF / various solvent(s) / 215 °C

4: 2.) p-toluenesulfonic acid / 1.) xylene, 2.) reflux

With toluene-4-sulfonic acid; cesium fluoride; In various solvent(s);

DOI:10.1248/cpb.38.1775

Reference yield:

2-<4-methoxy-3-(2-propynyloxy)phenyl>-1-(N-methylformamido)-6,7-methylenedioxynaphthalene (143260-98-4) → chelerythrine (478-03-5)

Guidance literature:

Multi-step reaction with 3 steps

1: CsF / various solvent(s) / 215 °C

3: 2.) p-toluenesulfonic acid / 1.) xylene, 2.) reflux

With toluene-4-sulfonic acid; cesium fluoride; In various solvent(s);

DOI:10.1248/cpb.38.1775

Reference yield:

isovanillin (621-59-0) → chelerythrine (478-03-5)

Guidance literature:

Multi-step reaction with 9 steps

3: CsF

4: acid treatment

5: OH^(1-)

9: 2.) p-toluenesulfonic acid / 1.) xylene, 2.) reflux

With hydroxide; toluene-4-sulfonic acid; cesium fluoride;

DOI:10.1248/cpb.38.1775

upstream raw materials:

2-(2-formyl-3-hydroxy-4-methoxyphenyl)-1-(N-methylformamido)-6,7-methylenedioxynaphthalene

dimethyl sulfate

isovanillin

4-formyl-7-methoxy-2-methylbenzofuran

Refernces