4-(Pyridin-4-yl)aniline

Base Information

• Chemical Name: 4-(Pyridin-4-yl)aniline
• CAS No.: 13296-04-3
• Molecular Formula: C11H10N2
• Molecular Weight: 170.214
• Hs Code.: 2933399090
• European Community (EC) Number: 674-850-1
• DSSTox Substance ID: DTXSID50363753
• Nikkaji Number: J81.588H
• Wikidata: Q72504345
• Mol file: 13296-04-3.mol

Synonyms:4-(Pyridin-4-yl)aniline;13296-04-3;4-Pyridin-4-yl-phenylamine;4-pyridin-4-ylaniline;Benzenamine, 4-(4-pyridinyl)-;4-(4-pyridyl)aniline;4-(4-aminophenyl)pyridine;MFCD00970053;Benzenamine,4-(4-pyridinyl)-;4-(4-pyridinyl)aniline;(4-pyridine-4-yl)aniline;4-(pyridin-4-yl) aniline;4-(4-pyridinyl)benzeneamine;4-(pyridin-4-yl)phenylamine;[4-(4-Pyridinyl)phenyl]amine;SCHEMBL1016773;YSWG1261;DTXSID50363753;AMY21179;4-(pyridin-4-yl)aniline, AldrichCPR;AKOS010308901;CS-W008791;SB32850;DS-12440;SY101725;BB 0261494;FT-0600453;P2782;EN300-212990;A888238;J-513844;Z756099088

Chemical Property of 4-(Pyridin-4-yl)aniline

Chemical Property:

• Vapor Pressure: 0.000346mmHg at 25°C
• Melting Point: 232-234℃
• Refractive Index: 1.625
• Boiling Point: 319.1 °C at 760 mmHg
• PKA: 6.55±0.10(Predicted)
• Flash Point: 172.7 °C
• PSA: 38.91000
• Density: 1.133g/cm³
• LogP: 2.91200
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 170.084398327
• Heavy Atom Count: 13
• Complexity: 144

Purity/Quality:

98% ^*data from raw suppliers

4-(4-Pyridinyl)aniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R20/21/22-36/37/38:
• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38-38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=CC=NC=C2)N
• Uses: 4-(4-Pyridinyl)aniline is diazotized, its product is nitrated and reduced to form 2-Amino-4-(4-pyridyl)phenol, which can increase cardiac contractility; Also, it is derived from 4-Pyridineboronic Acid (P991355), which is boronic acid derivative and their binding affinities with diols.

Technology Process of 4-(Pyridin-4-yl)aniline

There total 23 articles about 4-(Pyridin-4-yl)aniline 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%

4-(4-nitrophenyl)pyridine (4282-45-5) → 4-(pyridin-4-yl)aniline (13296-04-3)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In ethanol;

Reference yield: 99.0%

[4-(pyridin-4-yl)phenyl]carbamic acid tert-butyl ester (197435-52-2) → 4-(pyridin-4-yl)aniline (13296-04-3)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 2h;

DOI:10.1021/jm201289r

Reference yield: 89.0%

N-(4-(pyridin-4-yl)phenyl)acetamide (59656-60-9) → 4-(pyridin-4-yl)aniline (13296-04-3)

Guidance literature:

With hydrogenchloride; In methanol; for 1h; Inert atmosphere; Reflux;

DOI:10.1016/j.bmc.2014.02.013

upstream raw materials:

4-(4-nitrophenyl)pyridine

diethyl (pyridin-4-yl)borane

4-bromo-aniline

p-aminoiodobenzene

Downstream raw materials:

4-(4'-pyridyl)phenyl 4''-n-hexyloxybenzoate

4-(4'-pyridyl)phenyl 4''-n-heptyloxybenzoate

4-(4'-pyridyl)phenyl 4''-n-octyloxybenzoate

4-(4'-pyridyl)phenyl 4''-n-nonyloxybenzoate

Refernces

• 1、 Rani, Pooja,Husain, Ahmad,Shukla, Ananya,Singla, Neha,Srivastava, Ankit Kumar,Kumar, Gulshan,Bhasin,Kumar, Girijesh. "Functionalized naphthalenediimide based supramolecular charge-transfer complexesviaself-assembly and their photophysical properties". . p. 1859 - 1869. Retrieved 2021.
• 2、 -. "NOVEL HYDRAZONE DERIVATIVE WITH ARYL OR HETEROARYL GROUP SUBSTITUTED AT TERMINAL AMINE GROUP THEREOF AND USE THEREOF". Paragraph 0069; 0099. . Retrieved 2021/11/04.
• 3、 -. "RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AS WELL AS PREPARATION METHOD AND USE THEREOF". Paragraph 0136; 0138. . Retrieved 2019/01/11.