Acefurtiamine

Base Information

• Chemical Name: Acefurtiamine
• CAS No.: 10072-48-7
• Molecular Formula: C₂₁H₂₄N₄O₇S
• Molecular Weight: 476.51
• UNII: 6APJ3D1308
• DSSTox Substance ID: DTXSID20864202
• Wikipedia: Acefurtiamine
• NCI Thesaurus Code: C79928
• Mol file: 10072-48-7.mol

Synonyms:Acefurtiamine;Acefurtiamine [INN];10072-48-7;Acefurtiamina;Acefurtiaminum;UNII-6APJ3D1308;6APJ3D1308;[4-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-3-(furan-2-carbonylsulfanyl)pent-3-enyl] 2-acetyloxyacetate;S-Ester of Thio-2-furoic acid with N-((4-amino-2-methyl-5-pyrimidinyl)methyl)-N-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)formamide O-glycolate acetate;C21H24N4O2S;C21-H24-N4-O2-S;(Z)-4-(N-(4-Amino-2-methyl-5-pyrimidinylmethyl)formylamino)-3-(2-furoylthio)-3-pentenyl acetoxyacetat;DTXSID20864202;2-Furoic acid, thio-, S-ester with N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)formamide glycolate (ester) acetate (ester);Acetic acid, (acetyloxy)-, 4-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-3-[(2-furanylcarbonyl)thio]-3-pentenyl ester

Chemical Property of Acefurtiamine

Chemical Property:

• Vapor Pressure: 2.21E-18mmHg at 25°C
• Boiling Point: 680.7°Cat760mmHg
• Flash Point: 365.4°C
• PSA: 180.95000
• Density: 1.348g/cm³
• LogP: 2.78610
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 13
• Exact Mass: 476.13657029
• Heavy Atom Count: 33
• Complexity: 748

Purity/Quality:

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

ACEFURTIAMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCOC(=O)COC(=O)C)SC(=O)C2=CC=CO2)C

Technology Process of Acefurtiamine

There total 2 articles about Acefurtiamine 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:

→ S-2-Furancarbonylthiamin-O-acetoxyacetat (10072-48-7)

Guidance literature:

S-Furancarbonylthiamin, Acetoxyacetylchlorid;

Reference yield:

→ O-Acetylglykoloyl-S-furoyl-thiamin (10072-48-7)

Guidance literature:

aus ROH durch Acyl.;