2-n-(4-Aminobutyl)-amino-5-bromopyridine

Base Information

• Chemical Name: 2-n-(4-Aminobutyl)-amino-5-bromopyridine
• CAS No.: 199522-78-6
• Molecular Formula: C₉H₁₄BrN₃
• Molecular Weight: 244.134
• Hs Code.: 2933399090
• European Community (EC) Number: 675-958-1
• DSSTox Substance ID: DTXSID80443794
• Mol file: 199522-78-6.mol

Synonyms:199522-78-6;2-n-(4-aminobutyl)-amino-5-bromopyridine;N1-(5-Bromopyridin-2-yl)butane-1,4-diamine;N'-(5-bromopyridin-2-yl)butane-1,4-diamine;n1-(5-bromo-pyridin-2-yl)-butane-1,4-diamine;2-N-(4-Aminobutyl)amino-5-bromopyridine;N-(4-aminobutyl)-5-bromopyridin-2-amine;DTXSID80443794;MFCD07784022;AKOS010117819;AS-35967;CS-0170818;FT-0719862;n1-(5-2-n-(4-aminobutyl))-amino-5-bromopyridine

Chemical Property of 2-n-(4-Aminobutyl)-amino-5-bromopyridine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.605
• Boiling Point: 356.801 °C at 760 mmHg
• Flash Point: 169.588 °C
• PSA: 50.94000
• Density: 1.424 g/cm³
• LogP: 2.76820
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 243.03711
• Heavy Atom Count: 13
• Complexity: 132

Purity/Quality:

97% ^*data from raw suppliers

N1-(5-Bromopyridin-2-yl)butane-1,4-diamine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=NC=C1Br)NCCCCN

Technology Process of 2-n-(4-Aminobutyl)-amino-5-bromopyridine

There total 1 articles about 2-n-(4-Aminobutyl)-amino-5-bromopyridine 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: 76.0%

2,5-dibromopyridine (624-28-2) + 1,4-diaminobutane (110-60-1) → N-1-(5-bromopyrid-2-yl)butane-1,4-diamine (199522-78-6)

Guidance literature:

With pyridine; for 18h; Heating;

DOI:10.1021/jm980118e

Reference yield:

N-1-(5-bromopyrid-2-yl)butane-1,4-diamine (199522-78-6) → 1-{4-[(5-bromo-pyridin-2-yl)-(3,4-dichloro-benzyl)-amino]-butyl}-3-[3-(1-trityl-1H-imidazol-4-yl)-propyl]-thiourea (218957-65-4)

Guidance literature:

Multi-step reaction with 3 steps

1: 1.) NaH / 1.) DMSO, 2 h, 2.) DMSO, RT, overnight

2: 83 percent / DCC / tetrahydrofuran / Ambient temperature

3: 71 percent / tetrahydrofuran / Ambient temperature

With sodium hydride; dicyclohexyl-carbodiimide; In tetrahydrofuran;

DOI:10.1021/jm980118e

Reference yield:

N-1-(5-bromopyrid-2-yl)butane-1,4-diamine (199522-78-6) → 4-butyl isothiocyanate (199522-80-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) NaH / 1.) DMSO, 2 h, 2.) DMSO, RT, overnight

2: 83 percent / DCC / tetrahydrofuran / Ambient temperature

With sodium hydride; dicyclohexyl-carbodiimide; In tetrahydrofuran;

DOI:10.1021/jm980118e

upstream raw materials:

2,5-dibromopyridine

1,4-diaminobutane

Downstream raw materials:

N-1-(5-bromopyrid-2-yl)-1-(3,4-dichlorobenzyl)butane-1,4-diamine

4-butyl isothiocyanate

1-{4-[(5-bromo-pyridin-2-yl)-(3,4-dichloro-benzyl)-amino]-butyl}-3-[3-(1-trityl-1H-imidazol-4-yl)-propyl]-thiourea

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