Dibenzoylthiamin

Base Information

• Chemical Name: Dibenzoylthiamin
• CAS No.: 299-88-7
• Molecular Formula: C₂₆H₂₆N₄O₄S
• Molecular Weight: 490.583
• European Community (EC) Number: 206-084-7
• Nikkaji Number: J3.275A
• ChEMBL ID: CHEMBL2106533
• Mol file: 299-88-7.mol

Synonyms:Dibenzoyl thiamine;Dibenzoylthiamin;299-88-7;Dibenthiamine;Thiamine, O,S-dibenzoyl-, (6CI);C26-H26-N4-O4-S;Dibenzoyl thiamine, AldrichCPR;CHEMBL2106533;MFCD00867787;s5474;CCG-269615;J-017724

Chemical Property of Dibenzoylthiamin

Chemical Property:

• Vapor Pressure: 1.78E-20mmHg at 25°C
• Melting Point: 173 °C
• Boiling Point: 718.2°Cat760mmHg
• PKA: 5.50±0.10(Predicted)
• Flash Point: 388.1°C
• PSA: 140.78000
• Density: 1.291g/cm³
• LogP: 5.59490
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 11
• Exact Mass: 490.16747650
• Heavy Atom Count: 35
• Complexity: 750

Purity/Quality:

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

DBT ^*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)C2=CC=CC=C2)SC(=O)C3=CC=CC=C3)C
• Isomeric SMILES: CC1=NC=C(C(=N1)N)CN(C=O)/C(=C(\CCOC(=O)C2=CC=CC=C2)/SC(=O)C3=CC=CC=C3)/C
• Uses: DIBENZOYL THIAMINE (cas# 299-88-7) is used in the enrichment of processed food in the method for determining total vitamin B1 in the food.

Technology Process of Dibenzoylthiamin

There total 4 articles about Dibenzoylthiamin 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:

Thiamine hydrochloride (67-03-8,70732-86-4) → N-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-N-(4-benzoyloxy-2-benzoylsulfanyl-1-methyl-but-1-enyl)-formamide (299-88-7,56829-57-3)

Guidance literature:

With sodium hydroxide; water; Behandeln des Reaktionsprodukts mit Benzoylchlorid;

DOI:10.1093/gerona/56.8.B350

Reference yield:

3-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-5-(2-benzoyloxy-ethyl)-4-methyl-thiazolium; bromide hydrobromide → N-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-N-(4-benzoyloxy-2-benzoylsulfanyl-1-methyl-but-1-enyl)-formamide (299-88-7,56829-57-3)

Guidance literature:

With sodium hydroxide; water; Behandeln des Reaktionsprodukts mit Benzoylchlorid;

DOI:10.1093/gerona/56.8.B350

Reference yield:

→ N-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-N-(4-benzoyloxy-2-benzoylsulfanyl-1-methyl-but-1-enyl)-formamide (299-88-7,56829-57-3)

Guidance literature:

Thiamin, Benzoesaeureanhydrid, 10percentig. wss.NaOH ;

upstream raw materials:

Thiamine hydrochloride

Downstream raw materials:

2-(4-acetyl-phenylazo)-5-(4-acetyl-phenylazomethyl)-4-methyl-thiazole