Aristolochic acid II

Base Information

• Chemical Name: Aristolochic acid II
• CAS No.: 475-80-9
• Molecular Formula: C16H9 N O6
• Molecular Weight: 311.251
• European Community (EC) Number: 207-499-6
• UNII: BB72D5PU2Y
• DSSTox Substance ID: DTXSID00197166
• Nikkaji Number: J12.516D
• Wikidata: Q2548975
• Metabolomics Workbench ID: 143341
• ChEMBL ID: CHEMBL602280
• Mol file: 475-80-9.mol

Synonyms:aristolochic acid B

Chemical Property of Aristolochic acid II

Chemical Property:

• Vapor Pressure: 7.2E-15mmHg at 25°C
• Melting Point: 270～272℃
• Refractive Index: 1.786
• Boiling Point: 592.2 °C at 760 mmHg
• PKA: 2.99±0.20(Predicted)
• Flash Point: 311.9 °C
• PSA: 101.58000
• Density: 1.61 g/cm³
• LogP: 3.85130
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 311.04298701
• Heavy Atom Count: 23
• Complexity: 505

Purity/Quality:

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

Aristolochic Acid B ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1OC2=C(O1)C3=C(C(=C2)C(=O)O)C(=CC4=CC=CC=C43)[N+](=O)[O-]

Technology Process of Aristolochic acid II

There total 1 articles about Aristolochic acid II 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:

C16H9NO5 → aristolochic acid II (475-80-9)

Guidance literature:

With sodium chlorite; In aq. phosphate buffer; dimethyl sulfoxide;

DOI:10.1021/tx500122x

Reference yield:

aristolochic acid II (475-80-9) → 4-methoxy-6H-benzo[c]chromen-6-one (39597-28-9)

Guidance literature:

Multi-step reaction with 4 steps

1: quinoline; copper-powder

2: tetrahydrofuran; aqueous KOH-solution / anschliessend Erwaermen mit wss. Wasserstoffperoxid

3: concentrated aqueous hydrochloric acid

With tetrahydrofuran; quinoline; hydrogenchloride; potassium hydroxide; copper;

DOI:10.1007/BF00901772

Reference yield:

aristolochic acid II (475-80-9) → aristolactam II (55610-00-9)

Guidance literature:

With ammonium hydroxide; iron(II) sulfite; at 22 ℃; for 1h; Yield given;

DOI:10.1002/ardp.19873200314

Downstream raw materials:

aristolactam II

4-methoxy-6H-benzo[c]chromen-6-one

5,6-methylenedioxy-diphenic acid

5,6-methylenedioxy-diphenic acid dimethyl ester

Refernces