3-Bromo-4-ethylpyridine

Base Information

• Chemical Name: 3-Bromo-4-ethylpyridine
• CAS No.: 38749-76-7
• Molecular Formula: C7H8BrN
• Molecular Weight: 186.051
• Hs Code.: 2933399090
• European Community (EC) Number: 848-983-2
• DSSTox Substance ID: DTXSID10523432
• Wikidata: Q72455552
• Mol file: 38749-76-7.mol

Synonyms:3-BROMO-4-ETHYLPYRIDINE;38749-76-7;4-Ethyl-3-bromopyridine;3-BROMO-4-ETHYL-PYRIDINE;MFCD11036137;3-bromo-4-ethyl pyridine;SCHEMBL793614;DTXSID10523432;BJZMHNBXROHGCM-UHFFFAOYSA-N;AKOS006307014;CS-W021862;PB42705;AC-23070;DS-16247;SY029943;A18718;EN300-332229;P16029

Chemical Property of 3-Bromo-4-ethylpyridine

Chemical Property:

• Vapor Pressure: 0.203mmHg at 25°C
• Refractive Index: 1.544
• Boiling Point: 216.7 °C at 760 mmHg
• PKA: 3.68±0.18(Predicted)
• Flash Point: 84.8 °C
• PSA: 12.89000
• Density: 1.413 g/cm³
• LogP: 2.40650
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 184.98401
• Heavy Atom Count: 9
• Complexity: 85

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Bromo-4-ethylpyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=C(C=NC=C1)Br

Technology Process of 3-Bromo-4-ethylpyridine

There total 4 articles about 3-Bromo-4-ethylpyridine 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: 8.0%

4-Ethylpyridine (536-75-4,151103-55-8) → 3-bromo-4-ethyl pyridine (38749-76-7) + 3,5-dibromo-4-ethylpyridine (125419-80-9)

Guidance literature:

With sulfuric acid; bromine; at 70 - 80 ℃;

Reference yield:

phenyl 3-bromo-4-ethylpyridine-1(4H)-carboxylate → 3-bromo-4-ethyl pyridine (38749-76-7)

Guidance literature:

With o-tetrachloroquinone; In acetic acid; for 8h; Yield given; Ambient temperature;

Reference yield:

3-Bromopyridine (626-55-1,163928-56-1) → 3-bromo-4-ethyl pyridine (38749-76-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) CuI, (CH₃)2S / 1.) THF, -20 deg C, 5 min, 2.) THF, a) -20 deg C, 15 min, b) RT, 15 min

2: o-chloranil / acetic acid / 8 h / Ambient temperature

With copper(l) iodide; o-tetrachloroquinone; dimethylsulfide; In acetic acid;

upstream raw materials:

4-Ethylpyridine

3-Bromopyridine

Downstream raw materials:

4-ethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

Refernces

• 1、 Dunn, Allan D.,Blais, Mickael. "The Bromination of Pyridines; - The Bromination of Ethylated Pyridines and Higher Homologues". . p. 287 - 288. Retrieved 2007/10/02.