4-(2-Isopropyl-imidazol-1-ylmethyl)-phenylamine

Base Information

• Chemical Name: 4-(2-Isopropyl-imidazol-1-ylmethyl)-phenylamine
• CAS No.: 893766-33-1
• Molecular Formula: C₁₃H₁₇N₃
• Molecular Weight: 215.298
• Hs Code.: 2933290090
• DSSTox Substance ID: DTXSID40415457
• Wikidata: Q82224394
• Mol file: 893766-33-1.mol

Synonyms:893766-33-1;4-(2-Isopropyl-imidazol-1-ylmethyl)-phenylamine;4-[(2-Isopropyl-1H-imidazol-1-yl)methyl]aniline;4-[(2-propan-2-ylimidazol-1-yl)methyl]aniline;4-((2-Isopropyl-1H-imidazol-1-yl)methyl)aniline;4-{[2-(propan-2-yl)-1H-imidazol-1-yl]methyl}aniline;DTXSID40415457;UYBAXMHGHXDYJI-UHFFFAOYSA-N;MFCD07658197;STK727299;AKOS000249302;LS-03495;{4-[(2-isopropyl-1H-imidazol-1-yl)methyl]phenyl}amine;Benzenamine, 4-[[2-(1-methylethyl)-1H-imidazol-1-yl]methyl]-

Chemical Property of 4-(2-Isopropyl-imidazol-1-ylmethyl)-phenylamine

Chemical Property:

• PSA: 43.84000
• LogP: 3.21820
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 215.142247555
• Heavy Atom Count: 16
• Complexity: 209

Purity/Quality:

4-[(2-isopropyl-1H-imidazol-1-yl)methyl]aniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=NC=CN1CC2=CC=C(C=C2)N

Technology Process of 4-(2-Isopropyl-imidazol-1-ylmethyl)-phenylamine

There total 3 articles about 4-(2-Isopropyl-imidazol-1-ylmethyl)-phenylamine 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:

2-Isopropyl-1-(4-nitro-benzyl)-1H-imidazole (897544-98-8) → 4-(2-Isopropyl-imidazol-1-ylmethyl)-phenylamine (893766-33-1)

Guidance literature:

With iron; acetic acid; In methanol; for 5.5h; Heating;

DOI:10.1021/jm00167a007

Reference yield:

2-isopropylimidazole (36947-68-9) → 4-(2-Isopropyl-imidazol-1-ylmethyl)-phenylamine (893766-33-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) sodium methoxide / 1.) methanol, 0 deg C, 2.) DMF, 25 deg C

2: iron, glacial acetic acid / methanol / 5.5 h / Heating

With sodium methylate; iron; acetic acid; In methanol;

DOI:10.1021/jm00167a007

Reference yield:

1-bromomethyl-4-nitro-benzene (100-11-8) → 4-(2-Isopropyl-imidazol-1-ylmethyl)-phenylamine (893766-33-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) sodium methoxide / 1.) methanol, 0 deg C, 2.) DMF, 25 deg C

2: iron, glacial acetic acid / methanol / 5.5 h / Heating

With sodium methylate; iron; acetic acid; In methanol;

DOI:10.1021/jm00167a007

upstream raw materials:

2-Isopropyl-1-(4-nitro-benzyl)-1H-imidazole

2-isopropylimidazole

1-bromomethyl-4-nitro-benzene

Downstream raw materials:

N-[4-(2-Isopropyl-imidazol-1-ylmethyl)-phenyl]-phthalamic acid

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