4-Chloro-6-morpholino-5-pyrimidinecarbaldehyde

Base Information

• Chemical Name: 4-Chloro-6-morpholino-5-pyrimidinecarbaldehyde
• CAS No.: 54503-94-5
• Molecular Formula: C9H10ClN3O2
• Molecular Weight: 227.65
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID80392192
• Wikidata: Q82190199
• Mol file: 54503-94-5.mol

Synonyms:54503-94-5;4-Chloro-6-morpholino-5-pyrimidinecarbaldehyde;4-Chloro-6-morpholinopyrimidine-5-carbaldehyde;4-chloro-6-morpholin-4-ylpyrimidine-5-carbaldehyde;4-chloro-6-(morpholin-4-yl)pyrimidine-5-carbaldehyde;SCHEMBL24583423;DTXSID80392192;MFCD04124789;AKOS005070027;CS-0453449;FT-0680175;EN300-725303;1X-0804;SR-01000307219;J-515120;SR-01000307219-1

Chemical Property of 4-Chloro-6-morpholino-5-pyrimidinecarbaldehyde

Chemical Property:

• Vapor Pressure: 1.77E-07mmHg at 25°C
• Melting Point: 94-96°C
• Refractive Index: 1.602
• Boiling Point: 426.5°C at 760 mmHg
• PKA: 1.26±0.35(Predicted)
• Flash Point: 211.7°C
• PSA: 55.32000
• Density: 1.398g/cm³
• LogP: 0.84410
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 227.0461543
• Heavy Atom Count: 15
• Complexity: 223

Purity/Quality:

98%min ^*data from raw suppliers

4-Chloro-6-(morpholin-4-yl)pyrimidine-5-carboxaldehyde ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCCN1C2=C(C(=NC=N2)Cl)C=O

Technology Process of 4-Chloro-6-morpholino-5-pyrimidinecarbaldehyde

There total 1 articles about 4-Chloro-6-morpholino-5-pyrimidinecarbaldehyde 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: 95.0%

morpholine (110-91-8,99108-56-2) + 2,6-dichloro-pyrimidine carbaldehyde (5305-40-8) → 4-chloro-6-morpholin-4-yl-pyrimidine-5-carbaldehyde (54503-94-5)

Guidance literature:

With triethylamine; In chloroform; for 8h; Ambient temperature;

Reference yield: 65.0%

4-chloro-6-morpholin-4-yl-pyrimidine-5-carbaldehyde (54503-94-5) + phenylacetylene (536-74-3) → 4-morpholin-4-yl-6-phenylethynylpyrimidine-5-carbaldehyde (1067892-80-1)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; In N,N-dimethyl-formamide; at 40 ℃; Inert atmosphere;

DOI:10.1016/j.tet.2009.05.015

Reference yield:

4-chloro-6-morpholin-4-yl-pyrimidine-5-carbaldehyde (54503-94-5) + 2-amino-benzenethiol (137-07-5) → C15H16N4O2S

Guidance literature:

With triethylamine; In benzene; at 0 - 5 ℃; for 4h;

DOI:10.1002/jhet.4141

upstream raw materials:

morpholine

2,6-dichloro-pyrimidine carbaldehyde

Downstream raw materials:

3-imino-3-morpholin-4-yl-propionitrile

4-morpholin-4-yl-6-phenylethynylpyrimidine-5-carbaldehyde

dimethyl [(7Z)-5,7-dihydro-4-(4-morpholinyl)-7-(phenylmethylene)furo[3,4-d]pyrimidin-5-yl]phosphate

C₁₉H₂₀N₄O₃

Refernces

• 1、 Clark, J.,Shahhet, M. S.,Korakas, D.,Varvounis, G.. "Synthesis of Thienopyrimidines from 4,6-Dichloropyrimidine-5-carbaldehydes". . p. 1065 - 1072. Retrieved 2007/10/02.