2-Bromo-3-methylpyridine

Base Information

• Chemical Name: 2-Bromo-3-methylpyridine
• CAS No.: 3430-17-9
• Molecular Formula: C6H6BrN
• Molecular Weight: 172.024
• Hs Code.: 29333990
• European Community (EC) Number: 629-415-0
• NSC Number: 4244
• DSSTox Substance ID: DTXSID80277793
• Nikkaji Number: J708.627J
• Wikidata: Q72447850
• Mol file: 3430-17-9.mol

Synonyms:2-bromo-3-methylpyridine;3430-17-9;2-Bromo-3-picoline;MFCD00239380;2-bromo-3-methylpyridin;2-bromo-3-methyl pyridine;2-Bromo-3-methyl-pyridine;Pyridine, 2-bromo-3-methyl-;3-methyl-2-bromopyridine;NSC4244;2-bromo-3-mehtylpyridine;SCHEMBL9573;PZSISEFPCYMBDL-UHFFFAOYSA-;DTXSID80277793;2-Bromo-3-methylpyridine, 95%;BCP23299;NSC 4244;NSC-4244;STR06862;AKOS005255176;AB05448;AC-5973;AM62352;CS-W007712;PS-5114;SY008917;A6035;B1894;FT-0611419;EN300-68298;AC-907/30003020;Q-101486;Z968908232

Chemical Property of 2-Bromo-3-methylpyridine

Chemical Property:

• Appearance/Colour: clear slightly yellow to light brown liquid
• Vapor Pressure: 0.218mmHg at 25°C
• Refractive Index: n20/D 1.568(lit.)
• Boiling Point: 215.3 °C at 760 mmHg
• PKA: 1.08±0.10(Predicted)
• Flash Point: 84 °C
• PSA: 12.89000
• Density: 1.494 g/cm³
• LogP: 2.15250
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 170.96836
• Heavy Atom Count: 8
• Complexity: 74.9

Purity/Quality:

99% ^*data from raw suppliers

2-Bromo-3-methylpyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-20/21/22
• Safety Statements: 26-37/39-36/37/39-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=C(N=CC=C1)Br

Technology Process of 2-Bromo-3-methylpyridine

There total 8 articles about 2-Bromo-3-methylpyridine 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: 88.0%

3-methylpyridin-2-ylamine (1603-40-3) → 2-bromo-3-picoline (3430-17-9)

Guidance literature:

With hydrogen bromide; bromine; sodium nitrite; at 5 ℃;

DOI:10.1248/cpb.38.2446

Reference yield:

3-methylpyridin-2-ol (1003-56-1,91914-04-4) → 2-bromo-3-picoline (3430-17-9)

Guidance literature:

With phosphorus tribromide; at 190 ℃;

DOI:10.1021/ja01216a045

Reference yield:

2,3-dibromopyridine (13534-89-9) + methyl iodide (74-88-4) → 2-bromo-3-picoline (3430-17-9)

Guidance literature:

2,3-dibromopyridine; In tetrahydrofuran; hexane; at -78 ℃; for 0.000219444h;

methyl iodide; In tetrahydrofuran; hexane; at -78 ℃; for 0.0025h;

DOI:10.1039/c0gc00852d

upstream raw materials:

3-methylpyridin-2-ylamine

3-methylpyridin-2-ol

2,6-Dibromopyridine

methyl iodide

Downstream raw materials:

(3-methyl-pyridin-2-yl)-phenyl-acetonitrile

2-bromonicotinic acid

3,3'-dimethyl-2,2'-bipyridine

2-(2,4-Di-tert-butyl-6-methoxy-phenyl)-3-methyl-pyridine

Refernces

• 1、 Gündüz, Miyase G?zde,U?ur, Sümeyye Buran,Güney, Funda,?zkul, Ceren,Krishna, Vagolu Siva,Kaya, Serdal,Sriram, Dharmarajan,Do?an, ?engül Dilem. "1,3-Disubstituted urea derivatives: Synthesis, antimicrobial activity evaluation and in silico studies". . . Retrieved 2020.
• 2、 Do?an, Sengul Dilem,Demirpolat, Eren,Yerer Aycan, Mükerrem Betül,Balci, Metin. "Synthesis of new 4-aza-indoles via acyl azides". . p. 252 - 258. Retrieved 2015.
• 3、 -. "NEW COMPOUND". Paragraph 0316; 0322. . Retrieved 2019/11/26.