4-Imidazol-1-ylmethylphenylamine

Base Information

• Chemical Name: 4-Imidazol-1-ylmethylphenylamine
• CAS No.: 56643-85-7
• Molecular Formula: C10H11N3
• Molecular Weight: 173.217
• Hs Code.: 2933290090
• UNII: 9BTW3ZDT8P
• DSSTox Substance ID: DTXSID40361425
• Nikkaji Number: J3.131.269H
• Wikidata: Q72482390
• Pharos Ligand ID: AYXSR5UW66RD
• ChEMBL ID: CHEMBL598389
• Mol file: 56643-85-7.mol

Synonyms:56643-85-7;4-Imidazol-1-ylmethylphenylamine;4-(1H-imidazol-1-ylmethyl)aniline;4-(imidazol-1-ylmethyl)aniline;4-((1H-imidazol-1-yl)methyl)aniline;4-[(1-Imidazolyl)methyl]aniline;4-Imidazol-1-ylmethyl-phenylamine;Benzenamine, 4-(1H-imidazol-1-ylmethyl)-;1-(4-Aminobenzyl)imidazole;9BTW3ZDT8P;4-(1H-imidazol-1-ylmethyl)benzenamine;4-(1-Imidazolylmethyl)aniline;CHEMBL598389;4-lmidazol-1-ylmethylphenylamine;1-(4-Aminobenzyl)-1H-imidazole;MFCD06660785;4-[(1H-Imidazol-1-yl)methyl]aniline;4-((1-imidazolyl)methyl)aniline;4-(imidazolylmethyl)phenylamine;UNII-9BTW3ZDT8P;D0HL9S;SCHEMBL77025;4-(imidazol-1-yl)methyl-aniline;DTXSID40361425;HMS1697K19;4-(imidazol-1-yl-methyl)-aniline;BDBM50307212;AKOS000122812;GS-4313;4-[(1H-Imidazol-1-yl)methyl]anilinet;4-[(1H-Imidazole-1-yl)methyl]aniline;4-(1H-imidazol-1-ylmethyl)-benzenamine;4-[(1H-imidazol-l-yl)methyl]benzenamine;SY028813;4-[(1H-imidazol-1-yl)methyl]benzenamine;AM20050509;BB 0253997;FT-0640403;EN300-12445;4-(1H-imidazol-1-ylmethyl)aniline, AldrichCPR;N-BENZYL-4-AMINOCYCLOHEXANONEETHYLENEKETAL;J-513137;Z90122363;F2124-0449

Chemical Property of 4-Imidazol-1-ylmethylphenylamine

Chemical Property:

• Vapor Pressure: 3.26E-06mmHg at 25°C
• Melting Point: 128-130°C
• Refractive Index: 1.622
• Boiling Point: 387.6 °C at 760 mmHg
• PKA: 7.01±0.10(Predicted)
• Flash Point: 188.2 °C
• PSA: 43.84000
• Density: 1.16g/cm³
• LogP: 2.09480
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 173.095297364
• Heavy Atom Count: 13
• Complexity: 152

Purity/Quality:

98%Min ^*data from raw suppliers

4-Imidazol-1-ylmethylphenylamine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C,Xi
• Statements: 20/21/22-34-41
• Safety Statements: 22-26-36/37/39-45-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CN2C=CN=C2)N

Technology Process of 4-Imidazol-1-ylmethylphenylamine

There total 7 articles about 4-Imidazol-1-ylmethylphenylamine 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%

4'-[(1-imidazolyl)methyl]acetanilide (1402073-38-4) → 4-(1-imidazolylmethyl)aniline (56643-85-7)

Guidance literature:

With ammonium bromide; ethylenediamine; at 70 ℃; for 5h; Microwave irradiation; Inert atmosphere; neat (no solvent);

DOI:10.1002/anie.201202354

Reference yield: 85.0%

1-(4-nitrobenzyl)-1H-imidazole (18994-90-6) → 4-(1-imidazolylmethyl)aniline (56643-85-7)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethyl acetate; at 60 ℃;

Reference yield:

1H-imidazole (288-32-4) + γ,γ-dichloropropanol (83682-72-8) + 1-bromomethyl-4-nitro-benzene (100-11-8) → 4-(1-imidazolylmethyl)aniline (56643-85-7)

Guidance literature:

With potassium carbonate; palladium; In ethanol; dichloromethane; toluene;

upstream raw materials:

1-(4-nitrobenzyl)-1H-imidazole

1-bromomethyl-4-nitro-benzene

1-(4-nitrophenyl)-1H-imidazole

1H-imidazole

Downstream raw materials:

3-Chloro-N-(4-imidazol-1-ylmethyl-phenyl)-benzamide

2-Chloro-N-(4-imidazol-1-ylmethyl-phenyl)-benzamide

(4-Imidazol-1-ylmethyl-phenyl)-[1-(4-nitro-phenyl)-meth-(E)-ylidene]-amine

N-(4-Imidazol-1-ylmethyl-phenyl)-benzamide

Refernces

• 1、 Song, Zhendong,Jin, Yue,Ge, Yang,Wang, Changyuan,Zhang, Jianbin,Tang, Zeyao,Peng, Jinyong,Liu, Kexin,Li, Yanxia,Ma, Xiaodong. "Synthesis and biological evaluation of azole-diphenylpyrimidine derivatives (AzDPPYs) as potent T790M mutant form of epidermal growth factor receptor inhibitors". . p. 5505 - 5512. Retrieved 2016/10/24.
• 2、 Shimizu, Yuhei,Morimoto, Hiroyuki,Zhang, Ming,Ohshima, Takashi. "Microwave-assisted deacylation of unactivated amides using ammonium-salt-accelerated transamidation". supporting information; experimental part. p. 8564 - 8567. Retrieved 2012/09/11.