4-(4-Bromophenyl)pyrimidin-2-amine

Base Information

• Chemical Name: 4-(4-Bromophenyl)pyrimidin-2-amine
• CAS No.: 392326-81-7
• Molecular Formula: C10H8BrN3
• Molecular Weight: 250.098
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID70404632
• Nikkaji Number: J3.086.305D
• Wikidata: Q82208909
• Mol file: 392326-81-7.mol

Synonyms:4-(4-bromophenyl)pyrimidin-2-amine;392326-81-7;2-amino-4-(4-bromophenyl)pyrimidine;MFCD02317272;4-(4-Bromo-phenyl)-pyrimidin-2-ylamine;SCHEMBL474287;DTXSID70404632;ULMOYCJVOJTPCJ-UHFFFAOYSA-N;4-(4-Bromophenyl)-2-pyrimidinamine;4-(4-bromophenyl)-2-pyrimidinylamine;AKOS011766055;AS-9384;SB60478;AC-33855;SY035376;CS-0098689;FT-0698370;EN300-3274478;A848250;AG-401/43410761;Z991536724

Chemical Property of 4-(4-Bromophenyl)pyrimidin-2-amine

Chemical Property:

• Melting Point: 204-207℃
• Boiling Point: 449.4 °C at 760 mmHg
• Flash Point: 225.6 °C
• PSA: 51.80000
• Density: 1.566 g/cm³
• LogP: 3.06950
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 248.99016
• Heavy Atom Count: 14
• Complexity: 180

Purity/Quality:

99.5% ^*data from raw suppliers

2-Amino-4-(4-bromophenyl)pyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=NC(=NC=C2)N)Br

Technology Process of 4-(4-Bromophenyl)pyrimidin-2-amine

There total 2 articles about 4-(4-Bromophenyl)pyrimidin-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: 60.0%

2-amino-4-bromopyrimidine (343926-69-2) + 4-Bromophenylboronic acid (5467-74-3) → 4-(4-bromo-phenyl)-pyrimidin-2-ylamine (392326-81-7)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; caesium carbonate; In methanol; water; for 12h; Reflux;

Reference yield: 53.0%

1-(4-bromophenyl)-3-(trimethylsilyl)prop-2-yn-1-ol (1122594-14-2) + guanidine nitrate (113-00-8) → 4-(4-bromo-phenyl)-pyrimidin-2-ylamine (392326-81-7)

Guidance literature:

1-(4-bromophenyl)-3-(trimethylsilyl)prop-2-yn-1-ol; guanidine nitrate; With silica gel; In dichloromethane;

for 0.0833333h; Microwave irradiation; Neat (no solvent);

DOI:10.3987/COM-12-12522

Reference yield: 62.0%

4-(4-bromo-phenyl)-pyrimidin-2-ylamine (392326-81-7) + desyl bromide (1484-50-0) → C24H16BrN3

Guidance literature:

With sodium hydrogencarbonate; In isopropyl alcohol; for 12h; Reflux;

upstream raw materials:

1-(4-bromophenyl)-3-(trimethylsilyl)prop-2-yn-1-ol

guanidine nitrate

2-amino-4-bromopyrimidine

4-Bromophenylboronic acid

Downstream raw materials:

4-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-pyrimidin-2-ylamine

6-[4-(2-amino-pyrimidin-4-yl)-phenyl]-1-(4-chloro-benzyl)-1H-thieno[3,2-d]pyrimidin-4-one

Refernces

• 1、 Chen, Qing-Zhen,Ding, Zong-Cang,Ma, Yan-Li,Wang, Zhen-Dong,Zhan, Zhuang-Ping. "Microwave-assisted synthesis of 2-aminopyrimidines from silica gel-adsorbed propargyl alcohols and guanidine". experimental part. p. 1891 - 1896. Retrieved 2012/08/28.