4-Chloro-6-ethoxypyrimidin-2-amine

Base Information

• Chemical Name: 4-Chloro-6-ethoxypyrimidin-2-amine
• CAS No.: 89784-02-1
• Molecular Formula: C₆H₈ClN₃O
• Molecular Weight: 173.602
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID70396684
• Nikkaji Number: J2.558.234I
• Wikidata: Q82197521
• Mol file: 89784-02-1.mol

Synonyms:89784-02-1;4-CHLORO-6-ETHOXY-2-PYRIMIDINAMINE;4-chloro-6-ethoxypyrimidin-2-amine;2-AMINO-4-CHLORO-6-ETHOXYPYRIMIDINE;SCHEMBL1576783;DTXSID70396684;HXJZQGOWSYPWAB-UHFFFAOYSA-N;4-Chloro-6-ethoxypyrimidine-2-amine;MFCD00457060;STK370877;2-amino-4-chloro-6-ethoxy-pyrimidine;AKOS005445680;2-HYDROXY-3-BROMO-4-PICOLINE;AS-9343;CCG-321698;SB56476;CS-0312809;FT-0647325

Chemical Property of 4-Chloro-6-ethoxypyrimidin-2-amine

Chemical Property:

• Vapor Pressure: 3.81E-05mmHg at 25°C
• Refractive Index: 1.57
• Boiling Point: 352.6 °C at 760 mmHg
• Flash Point: 167 °C
• PSA: 61.03000
• Density: 1.329 g/cm³
• LogP: 1.69210
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 173.0355896
• Heavy Atom Count: 11
• Complexity: 124

Purity/Quality:

97% ^*data from raw suppliers

4-Chloro-6-ethoxy-2-pyrimidinamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC(=NC(=N1)N)Cl

Technology Process of 4-Chloro-6-ethoxypyrimidin-2-amine

There total 3 articles about 4-Chloro-6-ethoxypyrimidin-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:

2-Amino-4,6-dichloropyrimidine (56-05-3) + ethanol (64-17-5) + cyclopropylmethanaminum benzoate → 6-chloro-N4-(cyclopropylmethyl)pyrimidine-2,4-diamine + 4-ethoxy-6-chloro-pyrimidin-2-ylamine (89784-02-1)

Guidance literature:

With potassium carbonate; In water; at 40 ℃; for 24h; Reagent/catalyst; Inert atmosphere; Sealed tube;

DOI:10.1021/acs.oprd.1c00077

Reference yield:

2-Amino-4,6-dichloropyrimidine (56-05-3) + ethanol (64-17-5) → 4-ethoxy-6-chloro-pyrimidin-2-ylamine (89784-02-1)

Guidance literature:

With potassium hydroxide;

Reference yield:

2-Amino-4,6-dichloropyrimidine (56-05-3) + ethanol (64-17-5) + sodium ethanolate (141-52-6) → 4-ethoxy-6-chloro-pyrimidin-2-ylamine (89784-02-1)

Guidance literature:

DOI:10.1039/jr9460000081

upstream raw materials:

2-Amino-4,6-dichloropyrimidine

ethanol

sodium ethanolate

Downstream raw materials:

C₁₆H₁₅Cl₃N₄O₃S