4-(2-Chloropyrimidin-4-yl)morpholine

Base Information

• Chemical Name: 4-(2-Chloropyrimidin-4-yl)morpholine
• CAS No.: 62968-37-0
• Molecular Formula: C8H10ClN3O
• Molecular Weight: 199.64
• Hs Code.: 2934999090
• European Community (EC) Number: 844-636-4
• DSSTox Substance ID: DTXSID50364922
• Nikkaji Number: J3.513.683E
• Wikidata: Q82149151
• Mol file: 62968-37-0.mol

Synonyms:4-(2-chloropyrimidin-4-yl)morpholine;62968-37-0;4-(2-chloro-4-pyrimidinyl)morpholine;2-Chloro-4-morpholinopyrimidine;4-(2-Chloro-pyrimidin-4-yl)-morpholine;Morpholine, 4-(2-chloro-4-pyrimidinyl)-;SCHEMBL1110658;DTXSID50364922;MFCD00981910;STL124195;AKOS005716910;DS-18603;CS-0088664;FT-0692299;J3.513.683E;4-(2-CHLOROPYRIMIDIN-4-YL)-MORPHOLINE;EN300-109832;F10207;A847212;Z976662394

Chemical Property of 4-(2-Chloropyrimidin-4-yl)morpholine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.564
• Boiling Point: 387.56 °C at 760 mmHg
• Flash Point: 188.19 °C
• PSA: 38.25000
• Density: 1.321 g/cm³
• LogP: 1.03160
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 199.0512396
• Heavy Atom Count: 13
• Complexity: 164

Purity/Quality:

98%min ^*data from raw suppliers

4-(2-Chloropyrimidin-4-yl)morpholine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCCN1C2=NC(=NC=C2)Cl

Technology Process of 4-(2-Chloropyrimidin-4-yl)morpholine

There total 3 articles about 4-(2-Chloropyrimidin-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: 98.0%

morpholine (110-91-8,99108-56-2) + 2,6-Dichloropyrimidine (3934-20-1) → 4-(2-chloro-pyrimidin-4-yl)-morpholine (62968-37-0)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In acetonitrile; at 55 ℃; for 2h;

Reference yield: 85.0%

morpholine (110-91-8,99108-56-2) + 2,6-Dichloropyrimidine (3934-20-1) → 4-(2-chloro-pyrimidin-4-yl)-morpholine (62968-37-0) + 4-(4-chloro-pyrimidine-2-yl)-morpholine (24192-96-9)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In isopropyl alcohol; at 0 - 20 ℃;

DOI:10.1016/j.ejmech.2017.10.007

Reference yield: 55.0%

→ 4-(2-chloro-pyrimidin-4-yl)-morpholine (62968-37-0)

Guidance literature:

In ethanol; at 20 ℃; for 12h;

upstream raw materials:

morpholine

2,6-Dichloropyrimidine

Downstream raw materials:

4-(2-(4-(benzyloxy)phenyl)pyrimidin-4-yl)morpholine

4-(2-(1-tosyl-1H-pyrrol-2-yl)pyrimidin-4-yl)morpholine

1-ethyl-3-(4-(4-morpholinopyrimidin-2-yl)phenyl)urea

Refernces

• 1、 Wang, Linxiao,Zhang, Qian,Wang, Zhe,Zhu, Wufu,Tan, Ninghua. "Design, synthesis, docking, molecular dynamics and bioevaluation studies on novel N-methylpicolinamide and thienopyrimidine derivatives with inhibiting NF-κB and TAK1 activities: Cheminformatics tools RDKit applied in drug design". . . Retrieved 2021/07/09.
• 2、 Bhujabal, Yuvraj B.,Vadagaonkar, Kamlesh S.,Gholap, Aniket,Sanghvi, Yogesh S.,Dandela, Rambabu,Kapdi, Anant R.. "HFIP Promoted Low-Temperature SNAr of Chloroheteroarenes Using Thiols and Amines". . p. 15343 - 15354. Retrieved 2019/12/04.