2-(2-Phenyl-1H-imidazol-4-YL)ethylamine

Base Information

• Chemical Name: 2-(2-Phenyl-1H-imidazol-4-YL)ethylamine
• CAS No.: 57118-68-0
• Molecular Formula: C11H13N3
• Molecular Weight: 187.244
• ChEMBL ID: CHEMBL24316
• DSSTox Substance ID: DTXSID80501449
• Nikkaji Number: J656.986B
• Wikidata: Q82353815

Synonyms:57118-68-0;2-(2-PHENYL-1H-IMIDAZOL-4-YL)ETHYLAMINE;2-(2-phenyl-1H-imidazol-4-yl)ethanamine;CHEMBL24316;2-(2-phenyl-1H-imidazol-4-yl)ethan-1-amine;2-(2-phenyl-1H-imidazol-5-yl)ethanamine;2-phenylhistamine;SCHEMBL1436268;SCHEMBL13872051;DTXSID80501449;BDBM50470713;AKOS006288462;PD121090;CS-0286510;FT-0695482;2-(2-phenyl-1H-imidazol-5-yl)ethan-1-amine;EN300-170786

Chemical Property of 2-(2-Phenyl-1H-imidazol-4-YL)ethylamine

Chemical Property:

• PSA: 54.70000
• LogP: 2.27820
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 187.110947427
• Heavy Atom Count: 14
• Complexity: 166

Purity/Quality:

99% ^*data from raw suppliers

2-(2-PHENYL-1H-IMIDAZOL-4-YL)ETHYLAMINE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NC=C(N2)CCN

Technology Process of 2-(2-Phenyl-1H-imidazol-4-YL)ethylamine

There total 5 articles about 2-(2-Phenyl-1H-imidazol-4-YL)ethylamine 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: 66.0%

N-tert-butylcarbonyl-2-iodohidtamine (1003034-18-1) + phenylboronic acid (98-80-6) → 2-Phenylhistamine (57118-68-0)

Guidance literature:

N-tert-butylcarbonyl-2-iodohidtamine; phenylboronic acid; With sodium carbonate; bis-triphenylphosphine-palladium(II) chloride; In 1,2-dimethoxyethane; at 110 ℃; for 2h; microwave irradiation;

With hydrogenchloride; In 1,4-dioxane; 1,2-dimethoxyethane; at 110 ℃; for 0.5h; Further stages.; microwave irradiation;

DOI:10.1016/j.tetlet.2007.10.119

Reference yield:

4-(2-chloro-ethyl)-2-phenyl-1(3)H-imidazole; hydrochloride → 2-Phenylhistamine (57118-68-0)

Guidance literature:

With ammonia;

DOI:10.1021/ja01154a052

Reference yield:

2-(2-phenyl-1(3)H-imidazol-4-yl)-ethanol; hydrochloride → 2-Phenylhistamine (57118-68-0)

Guidance literature:

Multi-step reaction with 2 steps

1: SOCl₂

2: NH₃

With thionyl chloride; ammonia;

DOI:10.1021/ja01154a052

upstream raw materials:

1,2,4-tris-(benzoilamino)-1-butene

benzoic acid anhydride

2-Oxo-4-phthalimido-1-butyl acetate

benzamidin

Downstream raw materials:

(2S)-1-{[2-(2-Phenyl-1H-imidazol-4-yl)-ethylamino]-acetyl}-pyrrolidine-2-carbonitrile

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