2-{[(Propan-2-yl)amino]methyl}aniline

Base Information

• Chemical Name: 2-{[(Propan-2-yl)amino]methyl}aniline
• CAS No.: 128145-39-1
• Molecular Formula: C10H16N2
• Molecular Weight: 164.25
• DSSTox Substance ID: DTXSID50560962
• Nikkaji Number: J1.678.331E
• Wikidata: Q82444618
• Mol file: 128145-39-1.mol

Synonyms:128145-39-1;2-{[(Propan-2-yl)amino]methyl}aniline;2-[(propan-2-ylamino)methyl]aniline;Benzenemethanamine, 2-amino-N-(1-methylethyl)-;2-((Isopropylamino)methyl)aniline;2-([(PROPAN-2-YL)AMINO]METHYL)ANILINE;SCHEMBL8315749;DTXSID50560962;LMZQLDWKPXNCJR-UHFFFAOYSA-N;AKOS010461801;2-amino-N-(1-methylethyl)-benzylamine;SB75966;EN300-250030;G51562

Chemical Property of 2-{[(Propan-2-yl)amino]methyl}aniline

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 164.131348519
• Heavy Atom Count: 12
• Complexity: 123

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)NCC1=CC=CC=C1N

Technology Process of 2-{[(Propan-2-yl)amino]methyl}aniline

There total 7 articles about 2-{[(Propan-2-yl)amino]methyl}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: 94.0%

N-isopropyl-2-nitrobenzylamine (338991-54-1) → 2-((isopropylamino)methyl)aniline (128145-39-1)

Guidance literature:

With 5%-palladium/activated carbon; hydrogen; In methanol; at 20 ℃; for 0.25h; under 10343.2 Torr; Inert atmosphere;

DOI:10.1002/anie.201609733

Reference yield: 73.0%

acetone (67-64-1) + 2-amino-1-benzylamine (4403-69-4) → 2-((isopropylamino)methyl)aniline (128145-39-1)

Guidance literature:

With hydrogen; platinum(IV) oxide; In ethanol; at 100 ℃; under 22800 Torr;

Reference yield:

isopropylamine (75-31-0) + 2-nitro-benzaldehyde (552-89-6) → 2-((isopropylamino)methyl)aniline (128145-39-1)

Guidance literature:

palladium on charcoal; In methanol;

upstream raw materials:

2-amino-N-isopropylbenzamide

acetone

2-amino-1-benzylamine

isatoic anhydride

Downstream raw materials:

tert-butyl 2-aminobenzyl(isopropyl)carbamate

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