3-Pyridin-4-ylaniline

Base Information

• Chemical Name: 3-Pyridin-4-ylaniline
• CAS No.: 40034-44-4
• Molecular Formula: C11H10N2
• Molecular Weight: 170.214
• Hs Code.: 2933399990
• European Community (EC) Number: 254-760-5
• DSSTox Substance ID: DTXSID50193092
• Nikkaji Number: J89.332C
• Wikidata: Q83065809
• Mol file: 40034-44-4.mol

Synonyms:3-pyridin-4-ylaniline;40034-44-4;3-(Pyridin-4-yl)aniline;4-(3-Aminophenyl)pyridine;Benzenamine, 3-(4-pyridinyl)-;3-(4-Pyridyl)aniline;EINECS 254-760-5;3-(pyridin-4-yl)benzenamine;3-(4-Pyridyl) aniline;4-(m-Aminophenyl)pyridine;3-pyridin-4-yl-phenylamine;3-(4-Pyridinyl)benzenamine;3-(4-Pyridinyl)-benzenamine;SCHEMBL583534;DTXSID50193092;CHEBI:195078;3-pyridin-4-ylaniline, AldrichCPR;AMY21199;MFCD00956758;AKOS004116316;PS-5146;SB52941;CS-0207326;FT-0639601;EN300-745515;F14691;J-510955;Z756099090

Chemical Property of 3-Pyridin-4-ylaniline

Chemical Property:

• Vapor Pressure: 3.55E-05mmHg at 25°C
• Melting Point: 167 °C
• Refractive Index: 1.625
• Boiling Point: 353.6 °C at 760 mmHg
• Flash Point: 194.8 °C
• PSA: 38.91000
• Density: 1.133 g/cm³
• LogP: 2.91200
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 170.084398327
• Heavy Atom Count: 13
• Complexity: 152

Purity/Quality:

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

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

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)N)C2=CC=NC=C2
• Uses: 4-(3-Aminophenyl)pyridine is a reactant in the preparation of N-alkylphenylalaninamides of pyridinylphenyl- and oxobipyridinylamines as human GPR 142 agonists for potential use as antidiabetic agents.

Technology Process of 3-Pyridin-4-ylaniline

There total 21 articles about 3-Pyridin-4-ylaniline 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: 89.0%

C22H20N4O2 → 3-(pyridin-4-yl)benzenamine (40034-44-4)

Guidance literature:

With hydrogenchloride; water; at 190 ℃; for 3h;

DOI:10.1039/c8sc01256c

Reference yield: 83.0%

4-(4-chloro-3-nitrophenyl)pyridine → 3-(pyridin-4-yl)benzenamine (40034-44-4)

Guidance literature:

With hydrogen; sodium acetate; palladium; In water; acetic acid;

Reference yield: 80.0%

4-pyridylboronic acid (1692-15-5) + m-Bromoaniline (591-19-5) → 3-(pyridin-4-yl)benzenamine (40034-44-4)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In 1,4-dioxane; water; at 90 ℃;

DOI:10.1016/j.bmc.2011.04.042

upstream raw materials:

4-(3-nitrophenyl)pyridine

N-[3-(4-pyridinyl)phenyl]acetamide

diethyl (pyridin-4-yl)borane

3-Iodoaniline

Downstream raw materials:

rosoxacin

Ethyl 1,4-dihydro-4-oxo-7-(4-pyridinyl)-3-quinolinecarboxylate

Ethyl 1-Ethyl-1,4-dihydro-4-oxo-7-(4-pyridinyl)-3-quinolinecarboxylate

N-(3-methylphenyl)-4-(4-pyridinyl)-1-phenylamine

Refernces

• 1、 -. "DIARYLUREAS AS CB1 ALLOSTERIC MODULATORS". Paragraph 69; 126; 131. . Retrieved 2018/12/02.
• 2、 Nguyen, Thuy,German, Nadezhda,Decker, Ann M.,Langston, Tiffany L.,Gamage, Thomas F.,Farquhar, Charlotte E.,Li, Jun-Xu,Wiley, Jenny L.,Thomas, Brian F.,Zhang, Yanan. "Novel Diarylurea Based Allosteric Modulators of the Cannabinoid CB1 Receptor: Evaluation of Importance of 6-Pyrrolidinylpyridinyl Substitution". . p. 7410 - 7424. Retrieved 2017/09/22.