Aristolochic acid IV

Base Information

• Chemical Name: Aristolochic acid IV
• CAS No.: 15918-62-4
• Molecular Formula: C₁₈H₁₃NO₈
• Molecular Weight: 371.303
• Hs Code.: 2932999099
• UNII: L28X6WY776
• DSSTox Substance ID: DTXSID30166603
• Nikkaji Number: J1.966.857F
• Wikidata: Q83035782
• Metabolomics Workbench ID: 136724
• ChEMBL ID: CHEMBL465004
• Mol file: 15918-62-4.mol

Synonyms:Aristolochic acid IV;15918-62-4;O-Methylaristolochic acid D;6-Methoxyaristolochic acid D;BRN 1332635;Aristolochic acid IV(sub a) methyl ether;CHEMBL465004;8,10-dimethoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid;2,3-Methylenedioxy-5,7-dimethoxy-10-nitrophenanthroic acid;8,10-Dimethoxy-6-nitrophenanthro(3,4-d)-1,3-dioxole-5-carboxylic acid;8,10-Dimethoxy-6-nitrophenanthro[3,4-d]-1,3-dioxole-5-carboxylic acid;Phenanthro(3,4-d)-1,3-dioxole-5-carboxylic acid, 8,10-dimethoxy-6-nitro-;Phenanthro[3,4-d]-1,3-dioxole-5-carboxylic acid, 8,10-dimethoxy-6-nitro-;C18H13NO8;DTXSID30166603;L28X6WY776;BDBM50306857;C18-H13-N-O8;LS-102934;3,4-(Methylenebisoxy)-6,8-dimethoxy-10-nitrophenanthrene-1-carboxylic acid;6-Nitro-8,10-dimethoxy-phenanthro[3,4-d]-1,3-dioxol-5-carbonsaure

Chemical Property of Aristolochic acid IV

Chemical Property:

• Vapor Pressure: 1.94E-17mmHg at 25°C
• Refractive Index: 1.5100 (estimate)
• Boiling Point: 643.5°Cat760mmHg
• Flash Point: 343°C
• PSA: 120.04000
• Density: 1.539g/cm³
• LogP: 3.86850
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 371.06411637
• Heavy Atom Count: 27
• Complexity: 594

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=C3C(=C(C=C2C(=C1)OC)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)O

Technology Process of Aristolochic acid IV

There total 1 articles about Aristolochic acid IV 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:

C18H13NO7 → aristolochic acid IV (15918-62-4)

Guidance literature:

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

DOI:10.1021/tx500122x

Reference yield:

diazomethane (186581-53-3,908094-01-9,334-88-3) + aristolochic acid IV (15918-62-4) → aristolochic acid IV methyl ester (17448-02-1)

Guidance literature:

In diethyl ether;

DOI:10.1016/S0031-9422(00)97687-8

Downstream raw materials:

aristolochic acid IV methyl ester