5-Phenyl-1H-imidazol-2-amine

Base Information

• Chemical Name: 5-Phenyl-1H-imidazol-2-amine
• CAS No.: 6775-40-2
• Molecular Formula: C9H9N3
• Molecular Weight: 159.191
• Hs Code.: 2933290090
• European Community (EC) Number: 806-276-6
• ChEMBL ID: CHEMBL1649757
• DSSTox Substance ID: DTXSID20508432
• Nikkaji Number: J633.359A
• Mol file: 6775-40-2.mol

Synonyms:5-PHENYL-1H-IMIDAZOL-2-AMINE;6775-40-2;4-phenyl-1H-imidazol-2-amine;2-amino-5-phenylimidazole;CHEMBL1649757;1H-Imidazol-2-amine, 4-phenyl-;4-phenyl-2-aminoimidazole;SCHEMBL395101;4-phenyl-1H-imidazol-2-ylamine;DTXSID20508432;AMY11926;BDBM50435705;MFCD03308784;MFCD07382487;AKOS005606358;AKOS016000200;AB41897;CS-W022422;FD10515;DS-15691;SY045540;4-phenyl-1H-imidazol-2-amine, AldrichCPR;EN300-126036;A867201;Z1198173209

Chemical Property of 5-Phenyl-1H-imidazol-2-amine

Chemical Property:

• Melting Point: 245 °C(Solv: ethanol (64-17-5))
• Boiling Point: 421.3±38.0 °C(Predicted)
• PKA: 14.75±0.10(Predicted)
• PSA: 54.70000
• Density: 1.238±0.06 g/cm3(Predicted)
• LogP: 2.24010
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 159.079647300
• Heavy Atom Count: 12
• Complexity: 143

Purity/Quality:

99% ^*data from raw suppliers

5-Phenyl-1H-imidazol-2-amine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CN=C(N2)N

Technology Process of 5-Phenyl-1H-imidazol-2-amine

There total 10 articles about 5-Phenyl-1H-imidazol-2-amine 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: 96.0%

N-<4(5)-Phenyl-1H-imidazol-2-yl>acetamide (160041-64-5) → 2-amino-4-phenylimidazole (6775-40-2)

Guidance literature:

N-<4(5)-Phenyl-1H-imidazol-2-yl>acetamide; With hydrogenchloride; at 80 ℃; for 3h;

With sodium hydroxide; pH=13;

DOI:10.3184/174751918X15414286606248

Reference yield: 91.0%

2-phenylimidazo(1,2-a)pyrimidine (15764-47-3) → 2-amino-4-phenylimidazole (6775-40-2)

Guidance literature:

With hydrazine hydrate; In ethanol; at 120 ℃; for 0.5h; Inert atmosphere; Microwave irradiation;

DOI:10.1016/j.tetlet.2009.06.128

Reference yield:

2-amino-4-phenyl-1H-imidazole hemisulfate → 2-amino-4-phenylimidazole (6775-40-2)

Guidance literature:

With sodium carbonate; In water; at 20 ℃; for 3h; Reagent/catalyst;

upstream raw materials:

2-phenylimidazo(1,2-a)pyrimidine

α-bromoacetophenone

N-<4(5)-Phenyl-1H-imidazol-2-yl>acetamide

monoacetylguanidine

Refernces

• 1、 -. "Keto-imidazoline-2-imine ligand [N,O] bidentate nickel and palladium complex as well as preparation method and application thereof". . . Retrieved 2019/11/13.
• 2、 Trapero, Ana,Pacitto, Angela,Singh, Vinayak,Sabbah, Mohamad,Coyne, Anthony G.,Mizrahi, Valerie,Blundell, Tom L.,Ascher, David B.,Abell, Chris. "Fragment-Based Approach to Targeting Inosine-5′-monophosphate Dehydrogenase (IMPDH) from Mycobacterium tuberculosis". . p. 2806 - 2822. Retrieved 2018/04/23.