4-((5-Bromopyrimidin-2-yl)oxy)aniline

Base Information

• Chemical Name: 4-((5-Bromopyrimidin-2-yl)oxy)aniline
• CAS No.: 76660-37-2
• Molecular Formula: C10H8 Br N3 O
• Molecular Weight: 266.097
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID10470179
• Wikidata: Q72512228
• Mol file: 76660-37-2.mol

Synonyms:76660-37-2;4-((5-Bromopyrimidin-2-yl)oxy)aniline;4-(5-Bromopyrimidin-2-yloxy)phenylamine;4-[(5-bromo-2-pyrimidinyl)oxy]aniline;4-[(5-bromopyrimidin-2-yl)oxy]aniline;4-(5-bromopyrimidin-2-yl)oxyaniline;4-(5-bromopyrimidin-2-yloxy)benzenamine;4-((5-bromo-2-pyrimidinyl)oxy)aniline;SCHEMBL11153430;4-tert-butyl-2-methylbenzoicacid;DTXSID10470179;MFCD09152747;AKOS005073484;MA-0840;SB60646;AM20061027;CS-0313144;FT-0681202;A838791

Chemical Property of 4-((5-Bromopyrimidin-2-yl)oxy)aniline

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 67-69ºC
• Boiling Point: 445.228ºC at 760 mmHg
• PKA: 3.67±0.10(Predicted)
• Flash Point: 223.066ºC
• PSA: 61.03000
• Density: 1.613g/cm3
• LogP: 3.19480
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 264.98507
• Heavy Atom Count: 15
• Complexity: 189

Purity/Quality:

98%min ^*data from raw suppliers

4-((5-Bromopyrimidin-2-yl)oxy)aniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1N)OC2=NC=C(C=N2)Br

Technology Process of 4-((5-Bromopyrimidin-2-yl)oxy)aniline

There total 4 articles about 4-((5-Bromopyrimidin-2-yl)oxy)aniline 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-(5-bromo-2-pyrimidyloxy)aniline (1185158-29-5) → 4-((5-bromopyrimidin-2-yl)oxy)aniline (76660-37-2)

Guidance literature:

With iron; ammonium chloride; In ethanol; water; for 1h; Reflux;

Reference yield:

4-amino-phenol (123-30-8) + 5-Bromo-2-chloropyrimidine (32779-36-5) → 4-((5-bromopyrimidin-2-yl)oxy)aniline (76660-37-2)

Guidance literature:

With potassium carbonate; In dimethyl sulfoxide; at 120 ℃; for 2.5h;

DOI:10.1021/jm051261s

Reference yield:

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) → 4-((5-bromopyrimidin-2-yl)oxy)aniline (76660-37-2)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium t-butanolate / N,N-dimethyl-formamide / 1 h / 20 °C / Inert atmosphere

1.2: 20 °C

2.1: ammonium chloride; iron / ethanol; water / 1 h / Reflux

With iron; ammonium chloride; sodium t-butanolate; In ethanol; water; N,N-dimethyl-formamide;

upstream raw materials:

4-amino-phenol

5-Bromo-2-chloropyrimidine

4-(5-bromo-2-pyrimidyloxy)aniline

4-nitro-phenol

Refernces

• 1、 -. "Aryloxy anilino propionic ester compound and application thereof as herbicide". Paragraph 0174; 0176; 0181. . Retrieved 2016/10/09.