2-Bromo-1-(2-ethoxy-2-oxoethyl)pyridin-1-ium bromide

Base Information

• Chemical Name: 2-Bromo-1-(2-ethoxy-2-oxoethyl)pyridin-1-ium bromide
• CAS No.: 36752-79-1
• Molecular Formula: C9H11 Br N O2 . Br
• Molecular Weight: 246.1011
• DSSTox Substance ID: DTXSID80468346
• NSC Number: 85586
• Mol file: 36752-79-1.mol

Synonyms:36752-79-1;2-Bromo-1-(2-ethoxy-2-oxoethyl)pyridin-1-ium bromide;DTXSID80468346;NSC85586;NSC-85586;2-bromo-1-(ethoxycarbonylmethyl)pyridinium bromide

Chemical Property of 2-Bromo-1-(2-ethoxy-2-oxoethyl)pyridin-1-ium bromide

Chemical Property:

• Vapor Pressure: 0.00121mmHg at 25°C
• Boiling Point: 299.2°C at 760 mmHg
• Flash Point: 134.7°C
• Density: 1.426g/cm³
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 324.91360
• Heavy Atom Count: 14
• Complexity: 175

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C[N+]1=CC=CC=C1Br.[Br-]

Technology Process of 2-Bromo-1-(2-ethoxy-2-oxoethyl)pyridin-1-ium bromide

There total 2 articles about 2-Bromo-1-(2-ethoxy-2-oxoethyl)pyridin-1-ium bromide 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-bromo-pyridine (109-04-6) + ethyl bromoacetate (105-36-2) → 2-bromo-1-(ethoxycarbonylmethyl)pyridinium bromide (36752-79-1)

Guidance literature:

at 85 ℃; for 24h; Inert atmosphere;

DOI:10.1021/acs.joc.1c01566

Reference yield:

→ 2-bromo-1-(ethoxycarbonylmethyl)pyridinium bromide (36752-79-1)

Guidance literature:

2-Brompyridin, Bromessigsaeureethylester;

Reference yield: 91.0%

2-bromo-1-(ethoxycarbonylmethyl)pyridinium bromide (36752-79-1) + ortho-bromobenzaldehyde (6630-33-7) → C16H14BrNO3

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In toluene; at 0 ℃; diastereoselective reaction; Inert atmosphere;

DOI:10.1021/acs.joc.1c01566

upstream raw materials:

2-bromo-pyridine

ethyl bromoacetate

Downstream raw materials:

1-Acetyl-2-methyl-indolizine-3-carboxylic acid ethyl ester

ethyl (2Z)-2-(2-oxo-1,2-dihydropyridin-1-yl)-3-phenylprop-2-enoate