4-Bromopyridine-2,3-diamine

Base Information

• Chemical Name: 4-Bromopyridine-2,3-diamine
• CAS No.: 1232431-75-2
• Molecular Formula: C5H6BrN3
• Molecular Weight: 188.027
• Hs Code.: 2933399090
• European Community (EC) Number: 866-201-8
• DSSTox Substance ID: DTXSID20696101
• Wikidata: Q82625536
• Mol file: 1232431-75-2.mol

Synonyms:4-bromopyridine-2,3-diamine;1232431-75-2;2,3-Diamino-4-bromopyridine;4-BROMO-PYRIDINE-2,3-DIAMINE;MFCD15143394;4-BROMO-2,3-DIAMINOPYRIDINE;SCHEMBL6711366;2,3-Pyridinediamine, 4-bromo-;DTXSID20696101;VDWHUTJUOZXVQW-UHFFFAOYSA-N;AKOS032949956;CS-W007230;PB33239;DS-15016;SY070972;AM20050720;FT-0754359;EN300-174097;P11779;A857442

Chemical Property of 4-Bromopyridine-2,3-diamine

Chemical Property:

• Melting Point: 154-155 °C
• Boiling Point: 341.6±37.0 °C(Predicted)
• PKA: 5.68±0.47(Predicted)
• PSA: 65.66000
• Density: 1.818±0.06 g/cm3(Predicted)
• LogP: 1.51980
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 186.97451
• Heavy Atom Count: 9
• Complexity: 98.2

Purity/Quality:

97% ^*data from raw suppliers

4-Bromopyridine-2,3-diamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=C(C(=C1Br)N)N

Technology Process of 4-Bromopyridine-2,3-diamine

There total 5 articles about 4-Bromopyridine-2,3-diamine 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: 67.0%

3-amino-4-bromo-2-nitropyridine (1305317-30-9) → 2,3-diamino-4-bromopyridine (1232431-75-2)

Guidance literature:

With tin(ll) chloride; In ethanol; water; for 2h; Reflux;

DOI:10.1055/s-0030-1259429

Reference yield: 37.0%

2-amino-4-bromo-3-nitropyridine (84487-10-5) → 2,3-diamino-4-bromopyridine (1232431-75-2)

Guidance literature:

With ethanol; tin(ll) chloride; Reflux;

Reference yield:

3-amino-2-nitropyridine (13269-19-7) → 2,3-diamino-4-bromopyridine (1232431-75-2)

Guidance literature:

Multi-step reaction with 2 steps

1.1: potassium acetate; acetic acid / 1 h / 20 °C

1.2: 20 °C

2.1: tin(ll) chloride / ethanol; water / 2 h / Reflux

With potassium acetate; acetic acid; tin(ll) chloride; In ethanol; water;

DOI:10.1055/s-0030-1259429

upstream raw materials:

3-amino-2-nitropyridine

3-amino-4-bromo-2-nitropyridine

5-bromo-2-pyridylamine

2-nitroamino-4-bromopyridine

Downstream raw materials:

8-azido-2,3-diphenylpyrido[2,3-b]pyrazine

8-azido-2,3-bis(4-methoxyphenyl)pyrido[2,3-b]pyrazine

8-amino-2,3-diphenylpyrido[2,3-b]pyrazine

8-amino-2,3-bis(4-methoxyphenyl)pyrido[2,3-b]pyrazine