Convicine

Base Information

• Chemical Name: Convicine
• CAS No.: 19286-37-4
• Molecular Formula: C10H15 N3 O8
• Molecular Weight: 305.244
• UNII: 6O6R2591X5
• DSSTox Substance ID: DTXSID60940958
• Nikkaji Number: J10.001C
• Wikidata: Q27106221
• Metabolomics Workbench ID: 67970
• Mol file: 19286-37-4.mol

Synonyms:convicine

Chemical Property of Convicine

Chemical Property:

• Boiling Point: °Cat760mmHg
• PKA: 11.11±0.10(Predicted)
• Flash Point: °C
• PSA: 191.12000
• Density: 1.81g/cm³
• LogP: -3.59470
• XLogP3: -3.4
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 305.08591445
• Heavy Atom Count: 21
• Complexity: 481

Purity/Quality:

99% ^*data from raw suppliers

Convicine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C1C(C(C(C(O1)OC2=C(NC(=O)NC2=O)N)O)O)O)O
• Isomeric SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=C(NC(=O)NC2=O)N)O)O)O)O
• Uses: Convicine, is a derivative of Vicine (V250005), a pyrimidine glycosides, a precursor of the aglycons divicine and isouramil which is main factors of favism. It is found in faba/fava bean. Also, it is derived from Ethyl Glyoxylate (E918550), which is used as a reagent in the synthesis of a new class of cinnamyl-triazole compounds which can be used as selective inhibitors of human aromatase (cytochrome P 450 19A1)

Technology Process of Convicine

There total 2 articles about Convicine 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: 65.0%

urea (57-13-6) + ethyl 2-cyano-2-acetate → 2,4,5-trihydroxy-6-aminopyrimidine 5-β-D-glucopyranoside (19286-37-4)

Guidance literature:

With sodium ethanolate; In ethanol; for 3h; Heating;

Reference yield:

→ 6-amino-5-α-D-glucopyranosyloxy-1H-pyrimidine-2,4-dione (19286-37-4)

Guidance literature:

aus Convicinpentaacetat (1d), NaOCH3/MeOH;

Reference yield:

2,4,5-trihydroxy-6-aminopyrimidine 5-β-D-glucopyranoside (19286-37-4) → isouramil (60337-65-7)

Guidance literature:

With β-glucosidase from almonds; In aq. phosphate buffer; at 37 ℃; pH=5; Enzymatic reaction;

DOI:10.1016/j.foodchem.2016.05.077

upstream raw materials:

urea

Downstream raw materials:

isouramil

Refernces