4-Chloro-6-morpholin-4-ylpyrimidin-2-amine

Base Information

• Chemical Name: 4-Chloro-6-morpholin-4-ylpyrimidin-2-amine
• CAS No.: 339016-18-1
• Molecular Formula: C8H11 Cl N4 O
• Molecular Weight: 214.655
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID70363295
• Nikkaji Number: J1.872.032I
• Wikidata: Q82146925
• ChEMBL ID: CHEMBL1384628
• Mol file: 339016-18-1.mol

Synonyms:339016-18-1;4-chloro-6-morpholin-4-ylpyrimidin-2-amine;4-chloro-6-morpholinopyrimidin-2-amine;4-chloro-6-(morpholin-4-yl)pyrimidin-2-amine;4-Chloro-6-morpholin-4-yl-pyrimidin-2-ylamine;2-Amino-4-chloro-6-(4-morpholinyl)pyrimidine;4-chloro-6-(4-morpholinyl)-2-pyrimidinamine;4-chloro-6-morpholino-2-pyrimidinamine;1,4-bipiperidin-3-ol;Oprea1_187238;MLS000325934;SCHEMBL1028538;CHEMBL1384628;DTXSID70363295;HMS1700N09;HMS2294A20;MFCD00664697;STK505644;AKOS000300535;4-Chloro-6-morpholinopyrimidine-2-amine;SMR000170041;CS-0022284;FT-0753797;7L-836;AA-504/09513041;F3267-0044

Chemical Property of 4-Chloro-6-morpholin-4-ylpyrimidin-2-amine

Chemical Property:

• Vapor Pressure: 3.91E-09mmHg at 25°C
• Melting Point: 212-214℃
• Refractive Index: 1.612
• Boiling Point: 473.5°Cat760mmHg
• PKA: 4.55±0.10(Predicted)
• Flash Point: 240.2°C
• PSA: 64.27000
• Density: 1.399g/cm³
• LogP: 1.19500
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 214.0621387
• Heavy Atom Count: 14
• Complexity: 188

Purity/Quality:

99% ^*data from raw suppliers

4-Chloro-6-morpholin-4-ylpyrimidin-2-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCCN1C2=CC(=NC(=N2)N)Cl

Technology Process of 4-Chloro-6-morpholin-4-ylpyrimidin-2-amine

There total 2 articles about 4-Chloro-6-morpholin-4-ylpyrimidin-2-amine 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: 96.0%

morpholine (110-91-8,99108-56-2) + 2-Amino-4,6-dichloropyrimidine (56-05-3) → 4-chloro-6-(4-morpholinyl)-2-pyrimidinamine (339016-18-1)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 100 ℃; for 5h; Inert atmosphere;

Reference yield: 78.0%

→ 4-chloro-6-(4-morpholinyl)-2-pyrimidinamine (339016-18-1)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 80 ℃;

Reference yield: 81.0%

4-chloro-6-(4-morpholinyl)-2-pyrimidinamine (339016-18-1) + 3-phenylpyrazole (2458-26-6) → C17H18N6O

Guidance literature:

With caesium carbonate; In N,N-dimethyl-formamide; at 160 ℃; for 12h; Inert atmosphere;

upstream raw materials:

morpholine

2-Amino-4,6-dichloropyrimidine

Downstream raw materials:

4-(6-chloro-2-phenyl-pyrimidin-4-yl)-morpholine

(4-chloro-6-morpholin-4-yl-pyrimidin-2-ylmethyl)-phenethyl-amine

(4-chloro-6-morpholin-4-yl-pyrimidin-2-ylmethyl)-triphenyl-phosphonium bromide