4-Chloro-3-methylisoxazolo[5,4-d]pyrimidine

Base Information

• Chemical Name: 4-Chloro-3-methylisoxazolo[5,4-d]pyrimidine
• CAS No.: 51850-60-3
• Molecular Formula: C₆H₄ClN₃O
• Molecular Weight: 169.57
• European Community (EC) Number: 835-914-6
• Mol file: 51850-60-3.mol

Synonyms:4-chloro-3-methylisoxazolo[5,4-d]pyrimidine;51850-60-3;4-chloro-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine;SCHEMBL4733727;BCA85060;MFCD14704902;AKOS006345695;EN300-69750;G41679;Z1117909975

Chemical Property of 4-Chloro-3-methylisoxazolo[5,4-d]pyrimidine

Chemical Property:

• Melting Point: 67-68 °C
• Boiling Point: 294.8±35.0 °C(Predicted)
• Density: 1.484±0.06 g/cm3(Predicted)
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 169.0042895
• Heavy Atom Count: 11
• Complexity: 157

Purity/Quality:

95% ^*data from raw suppliers

4-chloro-3-methylisoxazolo[5,4-d]pyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=NOC2=C1C(=NC=N2)Cl

Technology Process of 4-Chloro-3-methylisoxazolo[5,4-d]pyrimidine

There total 5 articles about 4-Chloro-3-methylisoxazolo[5,4-d]pyrimidine 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: 99.0%

3-methylisoxazolo<5,4-d>pyrimidin-4(5H)-one (68571-74-4) → 4-chloro-3-methylisoxazolo<5,4-d>pyrimidine (51850-60-3)

Guidance literature:

With trichlorophosphate; for 2h; Heating;

DOI:10.3987/COM-95-S75

Reference yield: 85.0%

4-Amino-3-methyl-isoxazolo<5.4-d>pyrimidin (89799-07-5) → 4-chloro-3-methylisoxazolo<5,4-d>pyrimidine (51850-60-3)

Guidance literature:

With trichlorophosphate; at 20 - 100 ℃; for 4h;

Reference yield:

3-methyl-4-cyano-5-aminoisoxazole (35261-01-9) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 4-chloro-3-methylisoxazolo<5,4-d>pyrimidine (51850-60-3)

Guidance literature:

N,N-dimethyl-formamide; With trichlorophosphate; at 20 ℃; for 1h;

3-methyl-4-cyano-5-aminoisoxazole; at 160 ℃;

upstream raw materials:

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

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

4-Amino-3-methyl-isoxazolo<5.4-d>pyrimidin

3-methyl-4-cyano-5-aminoisoxazole

Downstream raw materials:

N-(3,5-dimethoxyphenyl)-3-methylisoxazolo[5,4-d]pyrimidin-4-amine

N-(4-methoxyphenyl)-N,3-dimethylisoxazolo[5,4-d]pyrimidin-4-amine

3-methyl-4-propylaminoisoxazolo<5,4-d>pyrimidine