3-Aminobiphenyl

Base Information

• Chemical Name: 3-Aminobiphenyl
• CAS No.: 2243-47-2
• Molecular Formula: C12H11N
• Molecular Weight: 169.226
• Hs Code.: 29029090
• European Community (EC) Number: 675-679-5
• UNII: P632PQP3U1
• DSSTox Substance ID: DTXSID2036825
• Nikkaji Number: J70.024J
• Wikipedia: 3-Aminobiphenyl
• Wikidata: Q27286270
• ChEMBL ID: CHEMBL1642684
• Mol file: 2243-47-2.mol

Synonyms:3-aminobiphenyl

Chemical Property of 3-Aminobiphenyl

Chemical Property:

• Appearance/Colour: pale yellow oil
• Melting Point: 28-33ºC
• Refractive Index: 1.6125 (estimate)
• Boiling Point: 341.7 °C at 760 mmHg
• PKA: 4.25(at 18℃)
• Flash Point: 177 °C
• PSA: 26.02000
• Density: 1.077 g/cm³
• LogP: 3.51700
• Storage Temp.: Refrigerator
• Solubility.: soluble in Methanol
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 169.089149355
• Heavy Atom Count: 13
• Complexity: 149

Purity/Quality:

99% ^*data from raw suppliers

3-Aminobiphenyl ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn,N
• Statements: 20/21/22-36/37/38-51-22
• Safety Statements: 26-36/37/39-36-61-45-25-24

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC(=CC=C2)N

Technology Process of 3-Aminobiphenyl

There total 5 articles about 3-Aminobiphenyl 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: 44.0%

3-Aminophenylboronic acid (30418-59-8,280563-63-5) → 3-biphenyl amine (2243-47-2) + 3,3'-diaminobiphenyl (2050-89-7) + m-Hydroxyaniline (591-27-5)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; In toluene; for 20h; Heating;

DOI:10.1021/jo982210o

Reference yield: 35.0%

C13H11NO2S (1392620-48-2) → 3-nitro-1,1'-biphenyl (2113-58-8) + 3-biphenyl amine (2243-47-2)

Guidance literature:

With triethylsilane; palladium dichloride; In tetrahydrofuran; for 96h; Inert atmosphere; Reflux;

DOI:10.1016/j.tetlet.2012.06.002

Reference yield: 31.0%

N-butylbiphenyl-3-amine (101906-11-0) → 3-biphenyl amine (2243-47-2) + butyraldehyde (123-72-8)

Guidance literature:

With oxygen; salcomine; In methanol; for 24h; Heating;

upstream raw materials:

2-nitro-dibenzothiophene

N-butylbiphenyl-3-amine

3-Aminophenylboronic acid

C₁₃H₁₁NO₂S

Downstream raw materials:

N-biphenyl-3-yl-phthalamic acid

5-phenylquinoline

7-phenylquinoline

1,3-dihydro-3-(methylthio)-4-phenyl-2H-indol-2-one

Refernces

• 1、 Aramendia,Lafont,Moreno-Manas,Pleixats,Roglans. "Electrospray ionization mass spectrometry detection of intermediates in the palladium-catalyzed oxidative self-coupling of areneboronic acids". . p. 3592 - 3594. Retrieved 2007/10/03.
• 2、 Benedini, Francesca,Galliani, Guido,Nali, Micaela,Rindone, Bruno,Tollari, Stefano. "Bis(salicylaldehyde)ethylenedi-iminecobalt(II)-catalysed Oxidation of Aromatic Amins with Oxygen". . p. 1963 - 1968. Retrieved 2007/10/02.