2-CHLORO-4-(PROP-1-YNYL)PYRIMIDINE

Base Information

• Chemical Name: 2-CHLORO-4-(PROP-1-YNYL)PYRIMIDINE
• CAS No.: 811450-47-2
• Molecular Formula: C7H5ClN2
• Molecular Weight: 152.58100
• Mol file: 811450-47-2.mol

Synonyms:Pyrimidine,2-chloro-4-(1-propynyl);2-CHLORO-4-(PROP-1-YN-1-YL)PYRIMIDINE;2-CHLORO-4-(PROP-1-YNYL)PYRIMIDINE;

Chemical Property of 2-CHLORO-4-(PROP-1-YNYL)PYRIMIDINE

Chemical Property:

• PSA: 25.78000
• LogP: 1.50140

Purity/Quality:

98%min ^*data from raw suppliers

2-CHLORO-4-(PROP-1-YNYL)PYRIMIDINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-CHLORO-4-(PROP-1-YNYL)PYRIMIDINE

There total 2 articles about 2-CHLORO-4-(PROP-1-YNYL)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: 94.0%

2,6-Dichloropyrimidine (3934-20-1) + prop-1-yne (74-99-7) → 2-chloro-4-prop-1-yn-1-ylpyrimidine (811450-47-2)

Guidance literature:

With triethylamine; bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; at 20 ℃; for 12h;

DOI:10.1021/ja066472g

Reference yield: 68.0%

2,6-Dichloropyrimidine (3934-20-1) + 1-propynyltributylstannane (64099-82-7) → 2-chloro-4-prop-1-yn-1-ylpyrimidine (811450-47-2)

Guidance literature:

With copper(l) iodide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In toluene; at 60 ℃; for 1h;

Reference yield: 12.0%

2-chloro-4-prop-1-yn-1-ylpyrimidine (811450-47-2) → 1-chloropyrrolo[1,2-f]pyrimidine (918340-50-8)

Guidance literature:

With copper(I) bromide; In N,N-dimethyl acetamide; triethylamine; at 130 ℃; for 12h;

DOI:10.1021/ja066472g

upstream raw materials:

2,6-Dichloropyrimidine

prop-1-yne

1-propynyltributylstannane

Downstream raw materials:

1-chloropyrrolo[1,2-f]pyrimidine

2-chloro-5-(pyrrolo[1,2-c]pyrimidin-1-ylamino)-phenol

Refernces

• 1、 -. "New CRTh2 antagonists". Paragraph 0693-0696. . Retrieved 2013/03/26.
• 2、 Kim, Joseph T.,Hamilton, Andrew D.,Bailey, Christopher M.,Domoal, Robert A.,Wang, Ligong,Anderson, Karen S.,Jorgensen, William L.. "FEP-guided selection of bicyclic heterocycles in lead optimization for non-nucleoside inhibitors of HIV-1 reverse transcriptase". . p. 15372 - 15373. Retrieved 2007/10/03.