rac 5-Hydroxy Propentofylline

Base Information

• Chemical Name: rac 5-Hydroxy Propentofylline
• CAS No.: 56395-62-1
• Molecular Formula: C15H24N4O3
• Molecular Weight: 308.38
• DSSTox Substance ID: DTXSID50430873
• Nikkaji Number: J419.465I
• Mol file: 56395-62-1.mol

Synonyms:rac 5-Hydroxy Propentofylline;56395-62-1;1-(5-HYDROXYHEXYL)-3-METHYL-7-PROPYLPURINE-2,6-DIONE;3,7-Dihydro-1-(5-hydroxyhexyl)-3-methyl-7-propyl-1H-purine-2,6-dione;SCHEMBL5256903;DTXSID50430873;CERFGCPAKWKZEK-UHFFFAOYSA-N;FT-0670050;3-methyl-1-(5-hydroxyhexyl)-7-propylxanthine;A-720287;1-(5-Hydroxyhexyl)-3-methyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione

Chemical Property of rac 5-Hydroxy Propentofylline

Chemical Property:

• Melting Point: 78 - 80°C
• PSA: 82.05000
• LogP: 0.85780
• Storage Temp.: -20°C Freezer, Under inert atmosphere
• Solubility.: Chloroform (Slightly), Dichloromethane (Slightly), Methanol (Slightly)
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 308.18484064
• Heavy Atom Count: 22
• Complexity: 418

Purity/Quality:

97% ^*data from raw suppliers

rac 5-Hydroxy Propentofylline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(C)O
• Uses: A hydroxy metabolite of Propentofylline (P768700).

Technology Process of rac 5-Hydroxy Propentofylline

There total 2 articles about rac 5-Hydroxy Propentofylline 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: 90.0%

propentofylline (55242-55-2) → A 720287 (56395-62-1)

Guidance literature:

With sodium borohydrid; acetic acid; In methanol; water;

Reference yield:

→ A 720287 (56395-62-1)

Guidance literature:

aus 1-(5-Oxohexyl)-3-methyl-7-propylxanthin, Natriumborhydrid;

upstream raw materials:

propentofylline

Refernces

• 1、 -. "Use of antibodies to TNF or fragments derived thereof and xanthine derivatives for combination therapy and compositions therefor". . . Retrieved 2008/06/13.
• 2、 -. "Hydroxyhexyl-alkylxanthines and pharmaceutical compositions containing hydroxyhexyl-alkylxanthines". . . Retrieved 2008/06/13.