4-(6-Chloro-5-nitropyrimidin-4-yl)morpholine

Base Information

• Chemical Name: 4-(6-Chloro-5-nitropyrimidin-4-yl)morpholine
• CAS No.: 54660-14-9
• Molecular Formula: C8H9ClN4O3
• Molecular Weight: 244.637
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID00428068
• Wikidata: Q82240843
• Mol file: 54660-14-9.mol

Synonyms:4-(6-chloro-5-nitropyrimidin-4-yl)morpholine;54660-14-9;DTXSID00428068;IFLAB-BB F2124-0140;AKOS002663714;FT-0762547;EN300-221067

Chemical Property of 4-(6-Chloro-5-nitropyrimidin-4-yl)morpholine

Chemical Property:

• PSA: 84.07000
• LogP: 1.46300
• Storage Temp.: 2-8°C
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 244.0363179
• Heavy Atom Count: 16
• Complexity: 256

Purity/Quality:

95% ^*data from raw suppliers

4-(6-Chloro-5-nitropyrimidin-4-yl)morpholine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1COCCN1C2=C(C(=NC=N2)Cl)[N+](=O)[O-]

Technology Process of 4-(6-Chloro-5-nitropyrimidin-4-yl)morpholine

There total 2 articles about 4-(6-Chloro-5-nitropyrimidin-4-yl)morpholine 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: 87.0%

morpholine (110-91-8,99108-56-2) + 4,6-dichloro-5-nitropyrimidine (4316-93-2) → 4-(6-chloro-5-nitropyrimidin-4-yl)morpholine (54660-14-9)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 0 ℃; for 0.5h;

DOI:10.1016/j.bmc.2020.115890

Reference yield:

morpholine (110-91-8,99108-56-2) + methanol (67-56-1) + 4,6-dichloro-5-nitropyrimidine (4316-93-2) → 4-(6-chloro-5-nitropyrimidin-4-yl)morpholine (54660-14-9)

Guidance literature:

DOI:10.1039/jr9590000481

Reference yield: 95.5%

4-(6-chloro-5-nitropyrimidin-4-yl)morpholine (54660-14-9) + 4-methoxy-aniline (104-94-9) → N-(4-methoxyphenyl)-5-nitro-6-(4-azatetrahydro-2H-pyran-4-yl)pyrimidin-4-amine

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; potassium carbonate; (R)-2,2'-bis(diphenylphosphanyl)-1,1'-binaphthyl; In toluene; at 25 ℃; for 45h; Inert atmosphere;

DOI:10.1016/j.cclet.2016.11.019

upstream raw materials:

morpholine

methanol

4,6-dichloro-5-nitropyrimidine

Downstream raw materials:

10-(4-Fluoro-phenyl)-8-morpholin-4-yl-3,4-dihydro-2H-1,4a,5,7,9-pentaaza-phenanthrene 9-oxide

2,3-Dihydro-5-phenyl-7-N-morpholino-1H-pyrimido<2,1-h>pteridine 6-oxide

4-nitro-1H-pyrazole-3,5-diamine

[benzyl-(6-morpholin-4-yl-5-nitro-pyrimidin-4-yl)-amino]-acetic acid methyl ester

Refernces

• 1、 -. "Thiazolopyrimidine compound and preparation method thereof Use and pharmaceutical compositions". Paragraph 0073-0077. . Retrieved 2021/11/10.