Carbethoxymethyl-alpha-picolinium bromide

Base Information

• Chemical Name: Carbethoxymethyl-alpha-picolinium bromide
• CAS No.: 55814-02-3
• Molecular Formula: C10H14BrNO2
• Molecular Weight: 260.131
• NSC Number: 99352
• DSSTox Substance ID: DTXSID50971216
• Mol file: 55814-02-3.mol

Synonyms:Carbethoxymethyl-alpha-picolinium bromide;55814-02-3;2-Picolinium, 1-(ethoxycarbonylmethyl)-, bromide;2-Picolinium, 1-(carboxymethyl)-, bromide, ethyl ester;C10H14NO2.Br;DTXSID50971216;NSC99352;NSC 99352;NSC-99352;LS-109709;1-ethoxycarbonylmethyl-2-methylpyridinium bromide;Pyridinium, 1-(2-ethoxy-2-oxoethyl)-2-methyl-, bromide;1-(2-ETHOXY-2-OXOETHYL)-2-METHYLPYRIDIN-1-IUM BROMIDE

Chemical Property of Carbethoxymethyl-alpha-picolinium bromide

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 259.02079
• Heavy Atom Count: 14
• Complexity: 170

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=C1C.[Br-]

Technology Process of Carbethoxymethyl-alpha-picolinium bromide

There total 1 articles about Carbethoxymethyl-alpha-picolinium 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: 99.0%

α-picoline (109-06-8) + ethyl bromoacetate (105-36-2) → 1-(2-ethoxy-2-oxoethyl)-2-methylpyridin-1-ium bromide (55814-02-3)

Guidance literature:

In ethanol; at 60 - 80 ℃; for 20h;

DOI:10.1039/c1jm11556a

Reference yield: 92.0%

1-(2-ethoxy-2-oxoethyl)-2-methylpyridin-1-ium bromide (55814-02-3) + dimethylglyoxal (431-03-8) → 2,3-dimethyl-quinolizinylium; bromide (31778-07-1)

Guidance literature:

With triethylamine; In tetrahydrofuran; for 3h; Reflux;

DOI:10.1039/c1jm11556a

Reference yield: 91.0%

1,2-bis-(3-nitrophenyl)ethane-1,2-dione (5913-06-4) + 1-(2-ethoxy-2-oxoethyl)-2-methylpyridin-1-ium bromide (55814-02-3) → 2,3-Bis-(3-nitro-phenyl)-quinolizinylium; bromide (83260-57-5)

Guidance literature:

With sodium acetate; In acetone; for 0.5h; Heating;

upstream raw materials:

α-picoline

ethyl bromoacetate

Downstream raw materials:

2,3-Bis-(3-nitro-phenyl)-quinolizinylium; bromide

2,3-Di-p-tolyl-quinolizinylium; bromide

2,3-Bis-(3-methoxy-phenyl)-quinolizinylium; bromide

2,3-Di-m-tolyl-quinolizinylium; bromide