(1-Benzyl-1H-imidazol-2-yl)methanamine

Base Information

• Chemical Name: (1-Benzyl-1H-imidazol-2-yl)methanamine
• CAS No.: 26163-58-6
• Molecular Formula: C11H13N3
• Molecular Weight: 187.24102
• Hs Code.: 2933290090
• ChEMBL ID: CHEMBL164646
• DSSTox Substance ID: DTXSID30541779
• Nikkaji Number: J273.627F
• Wikidata: Q82418215
• Mol file: 26163-58-6.mol

Synonyms:26163-58-6;(1-Benzyl-1H-imidazol-2-yl)methanamine;(1-benzyl-1H-imidazol-2-yl)methylamine;(1-benzylimidazol-2-yl)methanamine;1-(1-benzyl-1H-imidazol-2-yl)methanamine;CHEMBL164646;(1-benzyl-1H-imidazol-2-yl)methylamine dihydrochloride;C-(1-Benzyl-1H-imidazol-2-yl)-methylamine;1H-Imidazole-2-methanamine, 1-(phenylmethyl)-;SCHEMBL9248339;DTXSID30541779;WAKASDKZDPCQPA-UHFFFAOYSA-N;(1-benzylimidazol-2-yl)methylamine;BDBM50014985;MFCD03086167;AKOS002668358;CS-0269962;EN300-93129;A877343;(1-BENZYL-1H-IMIDAZOL-2-YL)METHYLAMINE,97%;Z965811502;V2L

Chemical Property of (1-Benzyl-1H-imidazol-2-yl)methanamine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 340.421°C at 760 mmHg
• PKA: 8.74±0.29(Predicted)
• Flash Point: 159.681°C
• PSA: 43.84000
• Density: 1.135g/cm³
• LogP: 2.09040
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 187.110947427
• Heavy Atom Count: 14
• Complexity: 166

Purity/Quality:

97% ^*data from raw suppliers

(1-Benzyl-1H-imidazol-2-yl)methylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C:Corrosive
• Statements: R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; R34:Causes burns.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39:Wear suitabl

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CN2C=CN=C2CN

Technology Process of (1-Benzyl-1H-imidazol-2-yl)methanamine

There total 3 articles about (1-Benzyl-1H-imidazol-2-yl)methanamine 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:

1-benzylimidazole-2-carboxaldehyde oxime (10045-64-4) → (1-benzylimidazol-2-yl)methylamine (26163-58-6)

Guidance literature:

With hydrogen; nickel; In ethanol; water; for 4.5h; under 2585.7 Torr;

DOI:10.1021/jm00164a051

Reference yield:

1-benzylimidazole (4238-71-5) → (1-benzylimidazol-2-yl)methylamine (26163-58-6)

Guidance literature:

Multi-step reaction with 3 steps

1: 1.) n-BuLi / 1.) Et₂O, hexane, -45 deg C, 30 min, 2 a.) -75 deg C, b.) 0 deg C, 10 min

2: 75 percent / NH₂OH*HCl, NaOAc / H₂O / 0.17 h

3: H₂ / Raney Ni / ethanol; H₂O / 4.5 h / 2585.7 Torr

With n-butyllithium; hydroxylamine hydrochloride; hydrogen; sodium acetate; nickel; In ethanol; water;

DOI:10.1021/jm00164a051

Reference yield:

→ (1-benzylimidazol-2-yl)methylamine (26163-58-6)

Guidance literature:

1-Benzyl-2-formyl-imidazol, L-Alanin, zweiwert. Metallionen (Rk.-Beding., Kinetik);

DOI:10.1002/jlac.19687180122

upstream raw materials:

1-benzylimidazole-2-carboxaldehyde oxime

1-benzylimidazole

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