5-Amino-2-bromo-3-picoline

Base Information

• Chemical Name: 5-Amino-2-bromo-3-picoline
• CAS No.: 38186-83-3
• Molecular Formula: C6H7BrN2
• Molecular Weight: 187.04
• Hs Code.: 29333999
• European Community (EC) Number: 833-076-6
• DSSTox Substance ID: DTXSID00494243
• Wikidata: Q72438684
• Mol file: 38186-83-3.mol

Synonyms:5-Amino-2-bromo-3-picoline;38186-83-3;5-Amino-2-bromo-3-methylpyridine;6-bromo-5-methylpyridin-3-amine;3-Pyridinamine, 6-bromo-5-methyl-;MFCD03095085;EN300-131929;SCHEMBL2407304;DTXSID00494243;IEONGQZSAUAAKH-UHFFFAOYSA-N;2-bromo-5-amino-3-methylpyridine;AM953;BDBM626016;CS-D0970;6-Bromo-5-methyl-pyridin-3-ylamine;AKOS005257957;AB13464;DS-0481;SB40595;5-amino-2-bromo-3-picoline, AldrichCPR;AC-23438;SY024695;4-(Cyclopentylaminocarbonyl)phenylboronicacid;A6481;FT-0600608;J-518412;5-Amino-2-bromo-3-picoline (5-Amino-2-bromo-3-methylpyridine)

Chemical Property of 5-Amino-2-bromo-3-picoline

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Melting Point: 97-100℃
• Refractive Index: 1.617
• Boiling Point: 304.978 °C at 760 mmHg
• PKA: 2.02±0.20(Predicted)
• Flash Point: 138.246 °C
• PSA: 38.91000
• Density: 1.593 g/cm³
• LogP: 2.31590
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 185.97926
• Heavy Atom Count: 9
• Complexity: 97.1

Purity/Quality:

98% ^*data from raw suppliers

5-Amino-2-bromo-3-picoline 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-41

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CN=C1Br)N
• Uses: 5-Amino-2-bromo-3-methylpyridine is a heterocyclic derivatives can be used as pharmaceutical intermediates.

Technology Process of 5-Amino-2-bromo-3-picoline

There total 2 articles about 5-Amino-2-bromo-3-picoline 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: 100.0%

2-bromo-3-methyl-5-nitropyridine (23132-21-0) → 5-amino-2-bromo-3-methylpyridine (38186-83-3)

Guidance literature:

With iron; acetic acid; In water; at 40 ℃; for 1h;

DOI:10.1016/j.bmcl.2011.08.080

Reference yield:

→ 5-amino-2-bromo-3-methylpyridine (38186-83-3)

Guidance literature:

2-Brom-3-methyl-5-nitropyridin (I), Sn, HCl;

Reference yield: 35.0%

5-amino-2-bromo-3-methylpyridine (38186-83-3) + dimethylglyoxal (431-03-8) → 1-(6-bromo-5-methylpyridin-3-yl)ethanone

Guidance literature:

5-amino-2-bromo-3-methylpyridine; With tetrafluoroboric acid; tert.-butylnitrite; In ethanol; water; at 0 - 20 ℃; for 1h; Schlenk technique; Inert atmosphere; Green chemistry;

dimethylglyoxal; In water; at 20 ℃; Inert atmosphere; Irradiation; Green chemistry;

DOI:10.1021/acs.joc.1c01290

upstream raw materials:

2-bromo-3-methyl-5-nitropyridine

Downstream raw materials:

C₁₂H₁₇BrN₂O

C₂₃H₂₈BrFN₄O₃

C₂₄H₂₈FN₅O₃

C₂₄H₃₀FN₅O₄