(2-Aminophenyl)-(4-tert-butylphenyl)methanone

Base Information

• Chemical Name: (2-Aminophenyl)-(4-tert-butylphenyl)methanone
• CAS No.: 461694-82-6
• Molecular Formula: C17H19NO
• Molecular Weight: 253.344
• Hs Code.: 2922399090
• DSSTox Substance ID: DTXSID10450557
• Wikidata: Q82270341
• Mol file: 461694-82-6.mol

Synonyms:461694-82-6;(2-aminophenyl)-(4-tert-butylphenyl)methanone;(2-AMINO-PHENYL)-(4-TERT-BUTYL-PHENYL)-METHANONE;2-(4-tert-butylbenzoyl)aniline;(2-AMINOPHENYL)(4-(TERT-BUTYL)PHENYL)METHANONE;(2-Aminophenyl)(4-tert-butylphenyl)methanone;DTXSID10450557;MFCD04972441;AKOS015948629;SB81689;NS-03814;CS-0272567;FT-0650518;Z203886644

Chemical Property of (2-Aminophenyl)-(4-tert-butylphenyl)methanone

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.582
• Boiling Point: 431.8°Cat760mmHg
• PKA: 0.04±0.10(Predicted)
• Flash Point: 214.9°C
• PSA: 43.09000
• Density: 1.107g/cm³
• LogP: 4.37850
• XLogP3: 5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 253.146664230
• Heavy Atom Count: 19
• Complexity: 310

Purity/Quality:

98%min ^*data from raw suppliers

(2-Aminophenyl)-(4-tert-butylphenyl)methanone 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2N

Technology Process of (2-Aminophenyl)-(4-tert-butylphenyl)methanone

There total 10 articles about (2-Aminophenyl)-(4-tert-butylphenyl)methanone 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: 79.0%

C17H19NO4S (889788-32-3) → (2-aminophenyl)[4-(tert-butyl)phenyl]methanone (461694-82-6)

Guidance literature:

With dipotassium hydrogenphosphate; [4,4′-bis(1,1-dimethylethyl)-2,2′-bipyridine-N1,N1′]bis{3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-κN]phenyl-κC}iridium(III) hexafluorophosphate; triphenylphosphine; In 1,4-dioxane; at 25 ℃; for 8h; Schlenk technique; Inert atmosphere; Sealed tube; Irradiation;

DOI:10.1002/chem.201903816

Reference yield: 76.0%

[4-(tert-butyl)phenyl](2-nitrophenyl)methanone (461694-81-5) → (2-aminophenyl)[4-(tert-butyl)phenyl]methanone (461694-82-6)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; at 6 ℃; for 20h; under 3750.3 Torr;

DOI:10.1016/S0223-5234(01)01330-7

Reference yield: 53.8%

1-bromo-4-tert-butylbenzene (3972-65-4) + anthranilic acid N-methoxy-N-methylamide (133776-41-7) → (2-aminophenyl)[4-(tert-butyl)phenyl]methanone (461694-82-6)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; cyclohexane; at -78 ℃; for 0.5h;

DOI:10.1021/jm051229y

upstream raw materials:

tert-butylbenzene

2-(toluene-4-sulfonylamino)-benzoic acid

[4-(tert-butyl)phenyl](2-nitrophenyl)methanone

1-bromo-4-tert-butylbenzene

Downstream raw materials:

4-(4-(tert-butyl)phenyl)quinolin-2(1H)-one

4-(4-tert-butylphenyl)-2-chloroquinoline

3-(4-tert-butyl-phenyl)-benzo[c]isoxazole

N-[2-(4-tert-butyl-benzoyl)-phenyl]-acetamide

Refernces

• 1、 Ruzi, Rehanguli,Ma, Junyang,Yuan, Xiang-Ai,Wang, Wenliang,Wang, Shanshan,Zhang, Muliang,Dai, Jie,Xie, Jin,Zhu, Chengjian. "Deoxygenative Arylation of Carboxylic Acids by Aryl Migration". supporting information. p. 12724 - 12729. Retrieved 2019/11/05.
• 2、 Fan, Xing,Yu, Liu-Zhu,Wei, Yin,Shi, Min. "Cascade Amination/Cyclization/Aromatization Process for the Rapid Construction of [2,3-c]Dihydrocarbazoles and [2,3-c]Carbazoles". supporting information. p. 4476 - 4479. Retrieved 2017/09/11.