2-Methyl-4-phenylbut-3-yn-2-amine

Base Information

• Chemical Name: 2-Methyl-4-phenylbut-3-yn-2-amine
• CAS No.: 143767-97-9
• Molecular Formula: C11H13N
• Molecular Weight: 159.231
• European Community (EC) Number: 820-514-6
• Nikkaji Number: J3.446.029I
• Mol file: 143767-97-9.mol

Synonyms:2-methyl-4-phenylbut-3-yn-2-amine;143767-97-9;2-Methyl-4-phenyl-3-butyn-2-amine;AKOS013315778;CS-0236254;EN300-1699073

Chemical Property of 2-Methyl-4-phenylbut-3-yn-2-amine

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 159.104799419
• Heavy Atom Count: 12
• Complexity: 198

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C#CC1=CC=CC=C1)N

Technology Process of 2-Methyl-4-phenylbut-3-yn-2-amine

There total 4 articles about 2-Methyl-4-phenylbut-3-yn-2-amine 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: 90.0%

iodobenzene (591-50-4) + 1,1-dimethylprop-3-ynylamine (2978-58-7) → 2-methyl-4-phenylbut-3-yn-2-amine (143767-97-9)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; In tetrahydrofuran; at 20 ℃; Inert atmosphere;

DOI:10.1021/acs.orglett.9b04147

Reference yield:

3-methyl-1-phenyl-but-1-yne (1612-03-9) → 2-methyl-4-phenylbut-3-yn-2-amine (143767-97-9)

Guidance literature:

With D-glucose; O-pivaloylhydroxylamine trifluoromethanesulfonate salt; In ethanol; at 10 ℃; for 20h; pH=8.4; enantioselective reaction; Sealed tube; Enzymatic reaction;

DOI:10.1021/jacs.1c11340

Reference yield:

1,1-dimethylprop-3-ynylamine (2978-58-7) → 2-methyl-4-phenylbut-3-yn-2-amine (143767-97-9)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; diisopropylamine; at 20 ℃; for 12h;

DOI:10.1039/d0cc02273j

upstream raw materials:

iodobenzene

1,1-dimethylprop-3-ynylamine

3-methyl-1-phenyl-but-1-yne

3-methyl-but-1-yne

Refernces

• 1、 Le, Zhengjie,Zhu, Yiwen,Bao, Zhi-Peng,Ying, Jun,Wu, Xiao-Feng. "Palladium-Catalyzed Carbonylative Synthesis of 1,5-Dihydro-2H-pyrrol-2-ones from Propargyl Amines and Benzyl Chlorides". . p. 1878 - 1881. Retrieved 2021.
• 2、 Ying, Jun,Le, Zhengjie,Wu, Xiao-Feng. "Benzene-1,3,5-triyl Triformate (TFBen)-Promoted Palladium-Catalyzed Carbonylative Synthesis of 2-Oxo-2,5-dihydropyrroles from Propargyl Amines". supporting information. p. 194 - 198. Retrieved 2020/01/03.