2-[(2-Chloropyrimidin-4-yl)amino]ethanol

Base Information

• Chemical Name: 2-[(2-Chloropyrimidin-4-yl)amino]ethanol
• CAS No.: 55662-06-1
• Molecular Formula: C6H8ClN3O
• Molecular Weight: 173.602
• DSSTox Substance ID: DTXSID70406156
• Wikidata: Q82211055
• ChEMBL ID: CHEMBL3989306
• Mol file: 55662-06-1.mol

Synonyms:2-[(2-chloropyrimidin-4-yl)amino]ethanol;55662-06-1;2-((2-Chloropyrimidin-4-yl)amino)ethan-1-ol;2-[(2-chloropyrimidin-4-yl)amino]ethan-1-ol;Ethanol, 2-[(2-chloro-4-pyrimidinyl)amino]-;2-(2-Chloropyrimidin-4-ylamino)ethanol;SCHEMBL3406133;CHEMBL3989306;DTXSID70406156;BFMJFUXSPYIYBK-UHFFFAOYSA-N;AKOS002663362;2-(2-Chloro-pyrimidin-4-ylamino)-ethanol;SR-01000652712;SR-01000652712-1;F8882-9309

Chemical Property of 2-[(2-Chloropyrimidin-4-yl)amino]ethanol

Chemical Property:

• Vapor Pressure: 6.51E-08mmHg at 25°C
• Refractive Index: 1.629
• Boiling Point: 423.1°Cat760mmHg
• PKA: 14.49±0.10(Predicted)
• Flash Point: 209.7°C
• PSA: 58.04000
• Density: 1.431g/cm³
• LogP: 0.60720
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 173.0355896
• Heavy Atom Count: 11
• Complexity: 114

Purity/Quality:

2-[(2-CHLOROPYRIMIDIN-4-YL)AMINO]ETHANOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=C(N=C1NCCO)Cl

Technology Process of 2-[(2-Chloropyrimidin-4-yl)amino]ethanol

There total 3 articles about 2-[(2-Chloropyrimidin-4-yl)amino]ethanol 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: 81.0%

2,6-Dichloropyrimidine (3934-20-1) + ethanolamine (141-43-5) → 2-chloro-4-(1-hydroxyethylamino)pyrimidine (55662-06-1)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In ethanol; at 0 ℃; Reagent/catalyst; Temperature; Microwave irradiation;

Reference yield: 38.0%

2-chloro-N-(2-methoxyethyl)pyrimidin-4-amine (1224600-39-8) → 2-chloro-4-(1-hydroxyethylamino)pyrimidine (55662-06-1)

Guidance literature:

With boron tribromide; In dichloromethane; at -10 - 20 ℃; for 3h;

Reference yield: 16.0%

→ 2-chloro-4-(1-hydroxyethylamino)pyrimidine (55662-06-1)

Guidance literature:

upstream raw materials:

2,6-Dichloropyrimidine

ethanolamine

2-chloro-N-(2-methoxyethyl)pyrimidin-4-amine

Downstream raw materials:

cardiogenol C

(2R,3R)-3-(5-bromo-2-{4-[4-(2-hydroxyethylamino)pyrimidin-2-ylamino]-phenylamino}pyrimidin-4-ylamino)butan-2-ol

(2R,3R)-3-(5-bromo-2-{4-[4-(2-hydroxyethylamino)pyrimidin-2-ylamino]-phenylamino}pyrimidin-4-yloxy)butan-2-ol

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