4-(2-Chloro-5-fluoropyrimidin-4-yl)morpholine

Base Information

• Chemical Name: 4-(2-Chloro-5-fluoropyrimidin-4-yl)morpholine
• CAS No.: 31646-53-4
• Molecular Formula: C8H9ClFN3O
• Molecular Weight: 217.62800
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID30389491
• Wikidata: Q82185327
• Mol file: 31646-53-4.mol

Synonyms:4-(2-chloro-5-fluoropyrimidin-4-yl)morpholine;31646-53-4;4-(2-CHLORO-5-FLUORO-4-PYRIMIDINYL)MORPHOLINE;Morpholine, 4-(2-chloro-5-fluoro-4-pyrimidinyl)-;4-(2-Chloro-5-fluoro-pyrimidin-4-yl)-morpholine;SCHEMBL7826785;DTXSID30389491;WSPHSTZJODFDMB-UHFFFAOYSA-N;MFCD00181612;STL377983;AKOS000101221;LS-06000;CS-0117875;4-(2-chloro-5-fluoro-4-pyrimidinyl)morpholine, AldrichCPR

Chemical Property of 4-(2-Chloro-5-fluoropyrimidin-4-yl)morpholine

Chemical Property:

• Vapor Pressure: 5.26E-06mmHg at 25°C
• Boiling Point: 380.9oC at 760 mmHg
• PKA: 3.25±0.40(Predicted)
• Flash Point: 184.2oC
• PSA: 38.25000
• Density: 1.4g/cm3
• LogP: 1.17070
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 217.0418178
• Heavy Atom Count: 14
• Complexity: 191

Purity/Quality:

98%min ^*data from raw suppliers

4-(2-chloro-5-fluoropyrimidin-4-yl)morpholine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCCN1C2=NC(=NC=C2F)Cl

Technology Process of 4-(2-Chloro-5-fluoropyrimidin-4-yl)morpholine

There total 2 articles about 4-(2-Chloro-5-fluoropyrimidin-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: 100.0%

morpholine (110-91-8,99108-56-2) + 2,4-dichloro-5-fluoropyrimidine (2927-71-1) → 4-(2-chloro-5-fluoro-pyrimidin-4-yl)morpholine (31646-53-4)

Guidance literature:

In water; at 60 - 70 ℃; for 2.5h;

Reference yield:

→ 4-(2-chloro-5-fluoro-pyrimidin-4-yl)morpholine (31646-53-4)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In ethanol; at 85 ℃; for 16h;

Reference yield:

4-(2-chloro-5-fluoro-pyrimidin-4-yl)morpholine (31646-53-4) + tert-butyl ((4aR,7aR)-7a-(4-(3-cyanophenyl)thiophen-2-yl)-3-methyl-4-oxohexahydro-1H-pyrrolo[3,4-d]pyrimidin-2(3H)-ylidene)carbamate (1400771-78-9) → C31H33FN8O4S

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; johnphos; sodium t-butanolate; In toluene; at 60 ℃; for 2h; Inert atmosphere;

DOI:10.1021/acs.jmedchem.8b01326

upstream raw materials:

morpholine

2,4-dichloro-5-fluoropyrimidine

Downstream raw materials:

4-(5-fluoro-2-hydrazinylpyrimidin-4-yl)morpholine