N4-Cyclopropylpyridine-3,4-diamine

Base Information

• Chemical Name: N4-Cyclopropylpyridine-3,4-diamine
• CAS No.: 146950-68-7
• Molecular Formula: C8H11 N3
• Molecular Weight: 149.195
• Hs Code.: 2933399090
• European Community (EC) Number: 846-880-7
• DSSTox Substance ID: DTXSID50598104
• Wikidata: Q82493825
• Mol file: 146950-68-7.mol

Synonyms:146950-68-7;N4-CYCLOPROPYLPYRIDINE-3,4-DIAMINE;3-AMINO-4-(CYCLOPROPYLAMINO)PYRIDINE;N4-Cyclopropyl-pyridine-3,4-diamine;4-N-cyclopropylpyridine-3,4-diamine;3,4-Pyridinediamine,N4-cyclopropyl-(9CI);3,4-Pyridinediamine, N4-cyclopropyl-;MFCD09954764;N~4~-Cyclopropylpyridine-3,4-diamine;SCHEMBL5958407;DTXSID50598104;VPGWOWXXDKITFM-UHFFFAOYSA-N;3,4-pyridinediamine,n4-cyclopropyl-;AKOS009237009;SB52517;AS-40525;SY008381;DB-063687;CS-0205648;EN300-93613;2-ETHYL-1-BENZOFURAN-3-CARBALDEHYDEOXIME;A853959;Z359511276

Chemical Property of N4-Cyclopropylpyridine-3,4-diamine

Chemical Property:

• Vapor Pressure: 3.56E-05mmHg at 25°C
• Refractive Index: 1.73
• Boiling Point: 353.5ºC at 760 mmHg
• PKA: 10.52±0.36(Predicted)
• Flash Point: 167.6ºC
• PSA: 54.17000
• Density: 1.312g/cm3
• LogP: 1.24120
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 149.095297364
• Heavy Atom Count: 11
• Complexity: 133

Purity/Quality:

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

3-Amino-4-(cyclopropylamino)pyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1NC2=C(C=NC=C2)N

Technology Process of N4-Cyclopropylpyridine-3,4-diamine

There total 8 articles about N4-Cyclopropylpyridine-3,4-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: 97.0%

N-cyclopropyl-3-nitropyridin-4-amine (380605-28-7) → N4-cyclopropylpyridin-3,4-diamine (146950-68-7)

Guidance literature:

With palladium on activated charcoal; hydrogen; In ethanol; water; for 4h; under 2585.81 Torr; Inert atmosphere;

DOI:10.1021/op049899l

Reference yield:

4-hydroxy-3-nitropyridine (5435-54-1) → N4-cyclopropylpyridin-3,4-diamine (146950-68-7)

Guidance literature:

Multi-step reaction with 3 steps

1.1: trichlorophosphate / 1,2-dichloro-ethane / 4 h / 80 - 85 °C / Inert atmosphere

1.2: 1 h / 0 - 65 °C / Inert atmosphere

2.1: 100 °C / Sealed tube; Inert atmosphere

3.1: palladium on activated charcoal; hydrogen / ethanol; water / 4 h / 2585.81 Torr / Inert atmosphere

With palladium on activated charcoal; hydrogen; trichlorophosphate; In ethanol; water; 1,2-dichloro-ethane;

DOI:10.1021/op049899l

Reference yield:

4-methoxy-3-nitro-pyridine (31872-62-5) → N4-cyclopropylpyridin-3,4-diamine (146950-68-7)

Guidance literature:

Multi-step reaction with 2 steps

1: N-ethyl-N,N-diisopropylamine / ethanol / 3 h / Reflux

2: hydrogen / palladium 10% on activated carbon / ethanol / 20 °C / 2585.81 Torr

With hydrogen; N-ethyl-N,N-diisopropylamine; palladium 10% on activated carbon; In ethanol;

upstream raw materials:

N-cyclopropyl-3-nitropyridin-4-amine

4-methoxy-3-nitro-pyridine

4-chloro-3-nitropyridine

pyridin-4-ol

Downstream raw materials:

4-(5-bromo-2-((1-cyclopropyl-2-oxo-1H-imidazo[4,5-c]pyridin-3(2H)-yl)methyl)-1H-indol-1-yl)butyl 4-methylbenzensulfonate

Refernces

• 1、 -. "Targeting human La and its precursor compound of the protein in the preparation of anti-hepatitis b virus use in medicine". Paragraph 0055; 0059; 0060. . Retrieved 2017/01/12.
• 2、 -. "INDOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS". Paragraph 0092; 0097-0098. . Retrieved 2013/10/22.