4-Chloro-6-methoxypyrimidin-5-amine

Base Information

• Chemical Name: 4-Chloro-6-methoxypyrimidin-5-amine
• CAS No.: 15846-19-2
• Molecular Formula: C5H6 Cl N3 O
• Molecular Weight: 159.575
• Hs Code.: 2933599090
• European Community (EC) Number: 829-656-3
• DSSTox Substance ID: DTXSID60355841
• Wikidata: Q72489032
• Mol file: 15846-19-2.mol

Synonyms:4-chloro-6-methoxypyrimidin-5-amine;15846-19-2;4-Methoxy-5-amino-6-chloropyrimidine;5-Amino-4-chloro-6-methoxypyrimidine;4-Chloro-6-methoxy-pyrimidin-5-ylamine;5-Pyrimidinamine, 4-chloro-6-methoxy-;4-chloro-6-methoxy-5-pyrimidinamine;SCHEMBL1923963;DTXSID60355841;SDMMBMBLFCTDIJ-UHFFFAOYSA-N;HMS1685O08;MFCD01646119;AKOS000604042;SB57765;2-Benzothiazolecarbonitrile, 5-methoxy-;DS-12340;CS-0045782;FT-0708742;A18248;EN300-104306;O11221;AC-907/34116028;4-chloro-6-methoxy-pyrimidin-5-ylamine, AldrichCPR

Chemical Property of 4-Chloro-6-methoxypyrimidin-5-amine

Chemical Property:

• Vapor Pressure: 0.00393mmHg at 25°C
• Melting Point: 79-80 °C
• Boiling Point: 279.8ºC at 760 mmHg
• PKA: -0.40±0.26(Predicted)
• Flash Point: 123ºC
• PSA: 61.03000
• Density: 1.398g/cm3
• LogP: 1.30200
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 159.0199395
• Heavy Atom Count: 10
• Complexity: 113

Purity/Quality:

99.5% ^*data from raw suppliers

4-Chloro-6-methoxypyrimidin-5-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=NC=N1)Cl)N

Technology Process of 4-Chloro-6-methoxypyrimidin-5-amine

There total 1 articles about 4-Chloro-6-methoxypyrimidin-5-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:

→ 4-methoxy-5-amino-6-chloropyrimidine (15846-19-2)

Guidance literature:

5-Amino-4,6-dichlor-pyrimidin, Na-methoxid, wfr. Me.;

Reference yield: 84.0%

4-methoxy-5-amino-6-chloropyrimidine (15846-19-2) → 4-methoxycarbonyl-5-chloro-1,2,3-triazole (88474-33-3)

Guidance literature:

With hydrogenchloride; sodium nitrite; In water; 1.)-5 deg C, 1.5 h 2.)20 deg C, 1.5 h;

DOI:10.1007/BF00505769

Reference yield: 75.0%

4-methoxy-5-amino-6-chloropyrimidine (15846-19-2) → 4-chloro-N-(4-chloro-6-methoxy-5-pyrimidinyl)-3-cyanobenzamide (871822-11-6)

Guidance literature:

3-Cyano-4-chloro-benzoic acid; With thionyl chloride; In benzene; for 4h; Heating / reflux;

4-methoxy-5-amino-6-chloropyrimidine; In dichloromethane; at 0 - 20 ℃; for 115.083h;

Downstream raw materials:

4-methoxy-6-oxopyrimido<4,5-b><1,4>thiazine

4-methoxycarbonyl-5-chloro-1,2,3-triazole

N-(3'-chloro-2',6'-dinitro-4'-trifluoromethylphenyl)-5-amino-4-chloro-6-methoxypyrimidine

4-chloro-N-(4-chloro-6-methoxy-5-pyrimidinyl)-3-cyanobenzamide