TETRAZOLO[1,5-A]PYRIMIDINE-6-CARBOXYLIC ACID, 1,7-DIHYDRO-5-METHYL-7-(4-METHYLPHENYL)-, ETHYL ESTER

Base Information

• Chemical Name: TETRAZOLO[1,5-A]PYRIMIDINE-6-CARBOXYLIC ACID, 1,7-DIHYDRO-5-METHYL-7-(4-METHYLPHENYL)-, ETHYL ESTER
• CAS No.: 803744-00-5
• Molecular Formula: C15H17N5O2
• Molecular Weight: 299.332
• Mol file: 803744-00-5.mol

Synonyms:TETRAZOLO[1,5-A]PYRIMIDINE-6-CARBOXYLIC ACID, 1,7-DIHYDRO-5-METHYL-7-(4-METHYLPHENYL)-, ETHYL ESTER

Chemical Property of TETRAZOLO[1,5-A]PYRIMIDINE-6-CARBOXYLIC ACID, 1,7-DIHYDRO-5-METHYL-7-(4-METHYLPHENYL)-, ETHYL ESTER

Chemical Property:

• Boiling Point: 403.2±55.0 °C(Predicted)
• PKA: 5.26±0.60(Predicted)
• PSA: 85.16000
• Density: 1.36±0.1 g/cm3(Predicted)
• LogP: 0.69100

Purity/Quality:

1,7-DIHYDRO-5-METHYL-7-(4-METHYLPHENYL)-TETRAZOLO[1,5-A]PYRIMIDINE-6-CARBOXYLIC ACID ETHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of TETRAZOLO[1,5-A]PYRIMIDINE-6-CARBOXYLIC ACID, 1,7-DIHYDRO-5-METHYL-7-(4-METHYLPHENYL)-, ETHYL ESTER

There total 2 articles about TETRAZOLO[1,5-A]PYRIMIDINE-6-CARBOXYLIC ACID, 1,7-DIHYDRO-5-METHYL-7-(4-METHYLPHENYL)-, ETHYL ESTER 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: 91.0%

5-aminotetrazole (4418-61-5) + 4-methyl-benzaldehyde (104-87-0) + ethyl acetoacetate (141-97-9) → C15H17N5O2 (803744-00-5)

Guidance literature:

With aluminum (III) chloride; In acetonitrile; for 6h; Reflux;

DOI:10.1016/j.tetlet.2017.09.052

Reference yield: 87.0%

5-carboethoxy-6-methyl-4-(4-methylphenyl)-1H-pyrimidin-2-thione (185023-34-1) → C15H17N5O2 (803744-00-5)

Guidance literature:

With sodium azide; mercury(II) diacetate; In acetic acid; at 100 ℃; for 6h; regioselective reaction;

DOI:10.3987/COM-11-12351

upstream raw materials:

5-carboethoxy-6-methyl-4-(4-methylphenyl)-1H-pyrimidin-2-thione

5-aminotetrazole

4-methyl-benzaldehyde

ethyl acetoacetate

Refernces

• 1、 Wang, Xi-Cun,Wei, Ying,Da, Yu-Xia,Zhang, Zhang,Quan, Zheng-Jun. "One-step synthesis of tetrazolo[1,5-a]pyrimidines by cyclization reaction of dihydropyrimidine-2-thiones with sodium azide". experimental part. p. 2811 - 2822. Retrieved 2012/01/15.