2,3-Epoxyaflatoxin B1

Base Information

• Chemical Name: 2,3-Epoxyaflatoxin B1
• CAS No.: 42583-46-0
• Deprecated CAS: 67337-06-8,90358-59-1,117859-29-7
• Molecular Formula: C17H12 O7
• Molecular Weight: 328.278
• DSSTox Substance ID: DTXSID10920447
• Nikkaji Number: J389.335I
• Wikipedia: Aflatoxin_B1_exo-8,9-epoxide
• Wikidata: Q27113960
• Metabolomics Workbench ID: 38937
• Mol file: 42583-46-0.mol

Synonyms:AFB epoxide;AFB1-2,3-oxide;aflatoxin B1-2,3-oxide;aflatoxin B1-8,9-epoxide

Chemical Property of 2,3-Epoxyaflatoxin B1

Chemical Property:

• Boiling Point: 549.9°Cat760mmHg
• Flash Point: 247.5°C
• PSA: 87.50000
• Density: 1.68g/cm³
• LogP: 1.48770
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 328.05830272
• Heavy Atom Count: 24
• Complexity: 684

Purity/Quality:

99% ^*data from raw suppliers

AFLATOXIN B1-2,3-OXIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C5C6C(O6)OC5OC4=C1
• Isomeric SMILES: COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4[C@@H]5[C@@H]6[C@@H](O6)O[C@@H]5OC4=C1

Technology Process of 2,3-Epoxyaflatoxin B1

There total 4 articles about 2,3-Epoxyaflatoxin B1 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:

aflatoxin B1 (1162-65-8) → aflatoxin M1 (6795-23-9,25325-49-9) + Aflatoxin B1 8,9-epoxide (42583-46-0)

Guidance literature:

mouse liver cytochrome P₄₅₀ 2A₅ (wild); In various solvent(s); pH=7.4; Further Variations:; Catalysts; Enzyme kinetics; Enzymatic reaction;

DOI:10.1021/tx960078m

Reference yield:

aflatoxin B1 (1162-65-8) → Aflatoxin B1 8,9-epoxide (42583-46-0)

Guidance literature:

With 3,3-dimethyldioxirane; In acetone; for 0.25h; Ambient temperature;

DOI:10.1021/ja00231a083

Reference yield:

aflatoxin B1 (1162-65-8) + 3,3-dimethyldioxirane (74087-85-7) → Aflatoxin B1 8,9-epoxide (42583-46-0)

Guidance literature:

In dichloromethane; acetone; for 0.25h; Ambient temperature;

DOI:10.1021/ja00200a051

upstream raw materials:

aflatoxin B₁

3,3-dimethyldioxirane

Downstream raw materials:

050668-79-6

Refernces

• 1、 Gopalakrishnan, S.,Stone, Michael P.,Harris, Thomas M.. "Preparation and Characterization of an Aflatoxin B1 Adduct with the Oligodeoxynucleotide d(ATCGAT)2". . p. 7232 - 7239. Retrieved 1989.
• 2、 Xue, Linlong,Wang, Huifen Faye,Wang, Qinmi,Szklarz, Grazyna D.,Domanski, Tammy L.,Halpert, James R.,Correia, Maria Almira. "Influence of P450 3A4 SRS-2 residues on cooperativity and/or regioselectivity of aflatoxin B1 oxidation". . p. 483 - 491. Retrieved 2007/10/03.