Pentoxyl

Base Information

• Chemical Name: Pentoxyl
• CAS No.: 147-61-5
• Molecular Formula: C6H8 N2 O3
• Molecular Weight: 156.141
• European Community (EC) Number: 205-694-0
• NSC Number: 667247,13202
• UNII: 7LCS1FW4JV
• DSSTox Substance ID: DTXSID20163560
• Nikkaji Number: J5.839D
• Wikidata: Q27268517
• Metabolomics Workbench ID: 37303
• Mol file: 147-61-5.mol

Synonyms:Pentoxyl

Chemical Property of Pentoxyl

Chemical Property:

• Refractive Index: 1.5010 (estimate)
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.308g/cm³
• Storage Temp.: 2-8°C
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 156.05349212
• Heavy Atom Count: 11
• Complexity: 244

Purity/Quality:

99% ^*data from raw suppliers

5-HYDROXYMETHYL-6-METHYLURACIL Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=C(C(=O)NC(=O)N1)CO

Technology Process of Pentoxyl

There total 6 articles about Pentoxyl 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: 80.0%

6-Methyluracil (626-48-2) + formaldehyd (50-00-0,30525-89-4,61233-19-0) → 5-hydroxymethyl-6-methyluracil (147-61-5)

Guidance literature:

With barium dihydroxide; In water; at 20 ℃; for 24h;

DOI:10.1080/00397910600772850

Reference yield:

5-(chloromethyl)-6-methyluracil (66947-91-9) → 5-hydroxymethyl-6-methyluracil (147-61-5)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/ja01853a010

Reference yield:

6-Methyluracil (626-48-2) → 5-hydroxymethyl-6-methyluracil (147-61-5)

Guidance literature:

Multi-step reaction with 2 steps

2: aq. NaOH solution

With sodium hydroxide;

DOI:10.1021/ja01853a010

upstream raw materials:

6-Methyluracil

formaldehyd

5-(chloromethyl)-6-methyluracil

6-Methyl-5-(1-phenyl-1H-tetrazol-5-ylsulfanylmethyl)-1H-pyrimidine-2,4-dione

Downstream raw materials:

C-5-Piperidinomethylene-6-methyluracil

6-Methyluracil

formaldehyd

acetic acid

Refernces

• 1、 Akbarzadeh, Marzieh,Bakavoli, Mehdi,Eshghi, Hossein,Shiri, Ali. "Synthesis of novel derivatives of (benz)imidazo[2,1-b]pyrimido[4,5-d][1,3] thiazine". . p. 730 - 733. Retrieved 2017.
• 2、 Chen, Yanli,Guo, Ying,Yang, Hua,Wang, Xiaowei,Liu, Junyi. "Synthesis of l-(alkoxymethyl)-5-benzyl-6-methyluracil as potential nonnucleoside HIV-1 RT inhibitors". . p. 2913 - 2920. Retrieved 2006.
• 3、 Endicott,Johnson. "-". . p. 2063. Retrieved 1941.