N-(3-Methylbutan-2-yl)aniline

Base Information

• Chemical Name: N-(3-Methylbutan-2-yl)aniline
• CAS No.: 100054-14-6
• Molecular Formula: C₁₁H₁₇N
• Molecular Weight: 163.263
• DSSTox Substance ID: DTXSID20564811
• Nikkaji Number: J1.415.053F
• Mol file: 100054-14-6.mol

Synonyms:N-(3-Methylbutan-2-yl)aniline;100054-14-6;Benzenamine, N-(1,2-dimethylpropyl)-;SCHEMBL2255556;SCHEMBL22502960;DTXSID20564811;AKOS000228657;AKOS026730575;EN300-164477;G23345;Z334878086

Chemical Property of N-(3-Methylbutan-2-yl)aniline

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 163.136099547
• Heavy Atom Count: 12
• Complexity: 114

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)C(C)NC1=CC=CC=C1

Technology Process of N-(3-Methylbutan-2-yl)aniline

There total 14 articles about N-(3-Methylbutan-2-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%

N-phenyl-(1,2-dimethylpropylidene)amine (56037-32-2) → (N-phenyl)-1,2-dimethylpropanamamine (100054-14-6,140408-81-7,880839-96-3)

Guidance literature:

With potassium tert-butylate; hydrogen; [RuCl₂(Ph₂PCH₂CH₂NH₂)₂]; at 20 ℃; for 12h; under 2280 Torr;

DOI:10.1002/adsc.200404274

Reference yield: 90.0%

N-phenyl-(1,2-dimethylpropylidene)amine (74265-71-7) → (N-phenyl)-1,2-dimethylpropanamamine (100054-14-6,140408-81-7,880839-96-3)

Guidance literature:

With isopropyl alcohol; [Ru2(CO)4(μ-H)(C4Ph4COHOCC4Ph4)]; In benzene; at 70 ℃; for 4h;

DOI:10.1002/1521-3765(20020703)8:13<2955::AID-CHEM2955>3.0.CO;2-Q

Reference yield: 88.0%

3-methyl-butan-2-one (563-80-4) + aniline (62-53-3) → (N-phenyl)-1,2-dimethylpropanamamine (100054-14-6,140408-81-7,880839-96-3)

Guidance literature:

With 5A molecular sieve; diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; thiourea; In toluene; at 50 ℃; for 48h;

DOI:10.1021/ol053001a

upstream raw materials:

2-methyl-but-2-ene

aniline hydrochloride

aniline

aniline hydrobromide

Downstream raw materials:

N-phenyl-(1,2-dimethylpropylidene)amine