Phenbenzamine

Base Information

• Chemical Name: Phenbenzamine
• CAS No.: 961-71-7
• Molecular Formula: C17H22 N2
• Molecular Weight: 254.375
• Hs Code.: 2921590090
• UNII: 733W48NG2Q
• DSSTox Substance ID: DTXSID3043863
• Nikkaji Number: J7.194C
• Wikipedia: Phenbenzamine
• Wikidata: Q18388093
• ChEMBL ID: CHEMBL157118
• Mol file: 961-71-7.mol

Synonyms:Antergan;Cyproheptadine;Dihexazin;Periactin;Peritol;Viternum

Chemical Property of Phenbenzamine

Chemical Property:

• Vapor Pressure: 7.52E-06mmHg at 25°C
• Refractive Index: 1.5794
• Boiling Point: 375.9°Cat760mmHg
• Flash Point: 166.2°C
• PSA: 6.48000
• Density: 1.038g/cm³
• LogP: 3.25480
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 254.178298710
• Heavy Atom Count: 19
• Complexity: 227

Purity/Quality:

95% ^*data from raw suppliers

ANTERGAN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CCN(CC1=CC=CC=C1)C2=CC=CC=C2

Technology Process of Phenbenzamine

There total 8 articles about Phenbenzamine 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: 77.0%

2--ethanol (33905-47-4) + dimethyl amine (124-40-3) → Antergan (961-71-7)

Guidance literature:

With C₁₉H₃₂Cl₂IrN₂; potassium carbonate; In water; at 130 ℃; for 40h; Sealed tube; Green chemistry;

DOI:10.1021/acs.joc.0c02896

Reference yield:

N-Benzylaniline (758640-21-0,103-32-2) + 2-(dimethylamino)ethyl chloride (107-99-3) → Antergan (961-71-7)

Guidance literature:

With benzene;

Reference yield:

N-phenyl-N-benzylacetamide (6840-29-5) → Antergan (961-71-7)

Guidance literature:

With methyl magnesium iodide; folgende Umsetzung mit <2-Chlor-aethyl>-dimethyl-amin-hydrochlorid;

DOI:10.1021/ja01099a509

upstream raw materials:

N-phenyl-N-benzylacetamide

N,N-dimethyl-N'-phenyl-ethylenediamine; dihydrochloride

benzyl chloride

N-Benzylaniline

Downstream raw materials:

N-Benzylaniline

N-benzylformanilide

N,N-dimethyl-N'-phenyl-1,2-ethanediamine

benzylidene phenylamine

Refernces

• 1、 Hamid, M. Haniti S. A.,Allen, C. Liana,Lamb, Gareth W.,Maxwell, Aoife C.,Maytum, Hannah C.,et al.. "Ruthenium-catalyzed /V-alkylation of amines and sulfonamides using borrowing hydrogen methodology". supporting information; experimental part. p. 1766 - 1774. Retrieved 2009/07/25.