6-Chloro-n-(3,4-dichlorophenyl)pyrimidin-4-amine

Base Information

• Chemical Name: 6-Chloro-n-(3,4-dichlorophenyl)pyrimidin-4-amine
• CAS No.: 6303-46-4
• Molecular Formula: C10H6 Cl3 N3
• Molecular Weight: 274.5337
• NSC Number: 43277
• DSSTox Substance ID: DTXSID30978945
• Wikidata: Q82964438
• Mol file: 6303-46-4.mol

Synonyms:6-chloro-n-(3,4-dichlorophenyl)pyrimidin-4-amine;6303-46-4;NSC43277;C10H6Cl3N3;DTXSID30978945;MFCD14611159;NSC-43277;AKOS010530839;SB60480;DS-19716;CS-0160546;C75963

Chemical Property of 6-Chloro-n-(3,4-dichlorophenyl)pyrimidin-4-amine

Chemical Property:

• Vapor Pressure: 1.28E-06mmHg at 25°C
• Boiling Point: 400.4°Cat760mmHg
• Flash Point: 195.9°C
• Density: 1.544g/cm³
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 272.962730
• Heavy Atom Count: 16
• Complexity: 229

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1NC2=CC(=NC=N2)Cl)Cl)Cl

Technology Process of 6-Chloro-n-(3,4-dichlorophenyl)pyrimidin-4-amine

There total 1 articles about 6-Chloro-n-(3,4-dichlorophenyl)pyrimidin-4-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: 77.0%

4,6-dichloropyrimidine (1193-21-1) + m,p-dichloroaniline (95-76-1) → (6-chloropyrimidin-4-yl)-(3,4-dichlorophenyl)-amine (6303-46-4)

Guidance literature:

With hydrogenchloride; In water; isopropyl alcohol; for 3h; Reflux;

DOI:10.1021/ja101837n

Reference yield: 60.0%

(6-chloropyrimidin-4-yl)-(3,4-dichlorophenyl)-amine (6303-46-4) + [3-(methoxycarbonyl)phenyl]boronic acid (99769-19-4) → 3-[6-(3,4-dichlorophenylamino)pyrimidin-4-yl]-benzoic acid methyl ester (1228298-37-0)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; sodium carbonate; In 1,2-dimethoxyethane; ethanol; water; at 125 ℃; Microwave irradiation; Inert atmosphere;

DOI:10.1021/ja101837n

Reference yield: 55.0%

(6-chloropyrimidin-4-yl)-(3,4-dichlorophenyl)-amine (6303-46-4) + 2-Cyanophenylboronic acid (138642-62-3) → 2-[6-(3,4-dichlorophenylamino)pyrimidin-4-yl]-benzamide (1228298-38-1)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; sodium carbonate; In 1,2-dimethoxyethane; ethanol; water; at 125 ℃; for 0.333333h; Microwave irradiation;

DOI:10.1021/ja101837n

upstream raw materials:

4,6-dichloropyrimidine

m,p-dichloroaniline

Downstream raw materials:

3-[6-(3,4-dichlorophenylamino)pyrimidin-4-yl]-benzoic acid methyl ester

2-[6-(3,4-dichlorophenylamino)pyrimidin-4-yl]-benzamide