Phenamazoline

Base Information

• Chemical Name: Phenamazoline
• CAS No.: 501-62-2
• Molecular Formula: C10H13N3
• Molecular Weight: 175.233
• Hs Code.: 2933290090
• UNII: 09L091X49E
• DSSTox Substance ID: DTXSID50862059
• Nikkaji Number: J1.293.333I
• Wikidata: Q27236487
• NCI Thesaurus Code: C66365
• Pharos Ligand ID: AW7CQYLA1L4D
• ChEMBL ID: CHEMBL13881
• Mol file: 501-62-2.mol

Synonyms:Phenamazoline;501-62-2;Phenamazoline [INN];N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline;UNII-09L091X49E;09L091X49E;n-[(4,5-dihydro-1h-imidazol-2-yl)methyl]aniline;1H-Imidazole-2-methanamine, 4,5-dihydro-N-phenyl-;2-Anilinomethyl-2-imidazolin;CHEMBL13881;SCHEMBL936813;DTXSID50862059;2-Imidazoline, 2-(anilinomethyl)-;BDBM50473129;AKOS006273977;FT-0692372;EN300-1272538;Q27236487

Chemical Property of Phenamazoline

Chemical Property:

• Vapor Pressure: 8.42E-07mmHg at 25°C
• Refractive Index: 1.616
• Boiling Point: 406°C at 760 mmHg
• Flash Point: 199.3°C
• PSA: 36.42000
• Density: 1.16g/cm³
• LogP: 0.93760
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 175.110947427
• Heavy Atom Count: 13
• Complexity: 183

Purity/Quality:

98%min ^*data from raw suppliers

N-(4,5-DIHYDRO-1H-IMIDAZOL-2-YLMETHYL)ANILINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN=C(N1)CNC2=CC=CC=C2

Technology Process of Phenamazoline

There total 7 articles about Phenamazoline 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: 78.0%

N-phenylglycinonitrile (3009-97-0) + ethylenediamine (107-15-3,85404-18-8) → Phenamazolin (501-62-2)

Guidance literature:

With tetraphosphorus decasulfide; at 100 - 110 ℃; for 2.5h;

DOI:10.1007/BF01169722

Reference yield:

2-(chloromethyl)-2-imidazoline hydrochloride (13338-49-3) + aniline (62-53-3) → Phenamazolin (501-62-2)

Guidance literature:

DOI:10.1002/hlca.19500330539

Reference yield:

2-bromomethyl-4,5-dihydro-1H-imidazole; hydrobromide + aniline (62-53-3) → Phenamazolin (501-62-2)

Guidance literature:

DOI:10.1002/hlca.19500330539

upstream raw materials:

N-phenylglycinonitrile

ethylenediamine

N-phenyl-thioglycine amide

2-anilino-acetamidine; hydrochloride

Downstream raw materials:

Phenyl-(2-phenylaminomethyl-4,5-dihydro-imidazol-1-yl)-methanone

antazoline