3-methyl-N-propyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

Base Information

• Chemical Name: 3-methyl-N-propyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
• CAS No.: 175348-28-4
• Molecular Formula: C₉H₁₂N₄O
• Molecular Weight: 192.22
• DSSTox Substance ID: DTXSID701323468
• ChEMBL ID: CHEMBL1409395
• Mol file: 175348-28-4.mol

Synonyms:3-methyl-N-propyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine;175348-28-4;3-methyl-N-propylisoxazolo[5,4-d]pyrimidin-4-amine;Oprea1_008891;MLS000706919;CHEMBL1409395;DTXSID701323468;HMS1876C03;HMS2688O11;CCG-84084;MFCD02186691;AKOS005096130;6P-319S;NCGC00126623-01;SMR000335748;E944-0330

Chemical Property of 3-methyl-N-propyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 192.10111102
• Heavy Atom Count: 14
• Complexity: 190

Purity/Quality:

3-METHYL-N-PROPYLISOXAZOLO[5,4-D]PYRIMIDIN-4-AMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCNC1=C2C(=NOC2=NC=N1)C

Technology Process of 3-methyl-N-propyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

There total 3 articles about 3-methyl-N-propyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine 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: 83.0%

propylamine (107-10-8,42939-71-9) + 4-chloro-3-methylisoxazolo<5,4-d>pyrimidine (51850-60-3) → 3-methyl-4-propylaminoisoxazolo<5,4-d>pyrimidine (175348-28-4)

Guidance literature:

for 1h; Heating;

DOI:10.3987/COM-95-S75

Reference yield:

5-amino-3-methyl-1,2-oxazole-4-carboxamide (35261-06-4) → 3-methyl-4-propylaminoisoxazolo<5,4-d>pyrimidine (175348-28-4)

Guidance literature:

Multi-step reaction with 3 steps

1: 94 percent / NaOEt / ethanol / 7 h / Heating

2: 99 percent / POCl₃ / 2 h / Heating

3: 83 percent / 1 h / Heating

With sodium ethanolate; trichlorophosphate; In ethanol;

DOI:10.3987/COM-95-S75

Reference yield:

3-methylisoxazolo<5,4-d>pyrimidin-4(5H)-one (68571-74-4) → 3-methyl-4-propylaminoisoxazolo<5,4-d>pyrimidine (175348-28-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 99 percent / POCl₃ / 2 h / Heating

2: 83 percent / 1 h / Heating

With trichlorophosphate;

DOI:10.3987/COM-95-S75

upstream raw materials:

propylamine

4-chloro-3-methylisoxazolo<5,4-d>pyrimidine

5-amino-3-methyl-1,2-oxazole-4-carboxamide

3-methylisoxazolo<5,4-d>pyrimidin-4(5H)-one