1-Phenethyl-2-picolinium bromide

Base Information

• Chemical Name: 1-Phenethyl-2-picolinium bromide
• CAS No.: 10551-21-0
• Molecular Formula: C14H16 N . Br
• Molecular Weight: 278.192
• Hs Code.: 2933399090
• European Community (EC) Number: 234-134-8
• NSC Number: 35717
• UNII: BQM36L4XXF
• DSSTox Substance ID: DTXSID50884493
• Mol file: 10551-21-0.mol

Synonyms:1-Phenethyl-2-picolinium bromide;10551-21-0;2-Picolinium, 1-phenethyl-, bromide;Pyridinium, 2-methyl-1-(2-phenylethyl)-, bromide;alpha-Picolinium-beta-phenylethyl bromide;Pyridinium, 2-methyl-1-(2-phenylethyl)-, bromide (1:1);2-Methyl-1-(2-phenylethyl)pyridinium bromide;2-methyl-1-(2-phenylethyl)pyridin-1-ium;bromide;EINECS 234-134-8;N-Phenethyl-alpha-picolinium bromide;NSC 35717;NSC-35717;2-Picolinium, bromide;BQM36L4XXF;C14H16N.Br;SCHEMBL6229520;C14-H16-N.Br;DTXSID50884493;NSC35717;2-methyl-1-phenethylpyridinium bromide;N-Phenethyl-.alpha.-picolinium bromide;FT-0721185;.alpha.-Picolinium-.beta.-phenylethyl bromide

Chemical Property of 1-Phenethyl-2-picolinium bromide

Chemical Property:

• Vapor Pressure: 0.000202mmHg at 25°C
• Melting Point: 195 °C
• Refractive Index: 1.5260 (estimate)
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 3.88000
• Density: g/cm³
• LogP: -0.47080
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 277.04661
• Heavy Atom Count: 16
• Complexity: 172

Purity/Quality:

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

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Pyridines
• Canonical SMILES: CC1=CC=CC=[N+]1CCC2=CC=CC=C2.[Br-]

Technology Process of 1-Phenethyl-2-picolinium bromide

There total 1 articles about 1-Phenethyl-2-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:

α-picoline (109-06-8) + 1-phenyl-2-bromoethane (103-63-9) → 2-methyl-1-phenethyl-pyridinium; bromide (10551-21-0)

Guidance literature:

DOI:10.1021/ja01209a048

Reference yield: 93.0%

2-methyl-1-phenethyl-pyridinium; bromide (10551-21-0) → 2-methyl-1-phenethylpiperidine (139158-05-7)

Guidance literature:

With bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; triethylammonium formate; potassium iodide; In dichloromethane; at 40 ℃; for 24h; Sealed tube;

DOI:10.1002/adsc.201201034

Reference yield: 92.0%

2-methyl-1-phenethyl-pyridinium; bromide (10551-21-0) → 2-methyl-1-(2-phenethyl)-1,2,3,6-tetrahydropyridine

Guidance literature:

With methanol; sodium tetrahydroborate; at 0 ℃; for 1.5h;

DOI:10.1007/s10593-020-02748-8

upstream raw materials:

α-picoline

1-phenyl-2-bromoethane

Downstream raw materials:

2-methyl-1-phenethylpiperidine