Benzamide, p-(3,3-dimethyl-1-triazeno)-

Base Information

• Chemical Name: Benzamide, p-(3,3-dimethyl-1-triazeno)-
• CAS No.: 33330-91-5
• Molecular Formula: C₉H₁₂N₄O
• Molecular Weight: 192.22
• NSC Number: 86441
• DSSTox Substance ID: DTXSID60879537
• Nikkaji Number: J73.103J
• ChEMBL ID: CHEMBL46034
• Mol file: 33330-91-5.mol

Synonyms:1-(4-carboxamidophenyl)-3,3-dimethyltriazene;1-(p-carbamoylphenyl)-3,3-dimethyltriazene;1-para-carboxamidophenyl-3,3-dimethyltriazene;DM-CONH

Chemical Property of Benzamide, p-(3,3-dimethyl-1-triazeno)-

Chemical Property:

• Vapor Pressure: 0.000105mmHg at 25°C
• Melting Point: 175-177 °C(Solv: methanol (67-56-1))
• Refractive Index: 1.6590 (estimate)
• Boiling Point: 337.4°Cat760mmHg
• PKA: 16.04±0.50(Predicted)
• Flash Point: 157.8°C
• PSA: 71.05000
• Density: 1.19g/cm³
• LogP: 2.04610
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 192.10111102
• Heavy Atom Count: 14
• Complexity: 219

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)N=NC1=CC=C(C=C1)C(=O)N

Technology Process of Benzamide, p-(3,3-dimethyl-1-triazeno)-

There total 4 articles about Benzamide, p-(3,3-dimethyl-1-triazeno)- 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: 34.0%

dimethyl amine (124-40-3) + p-carbamoylbenzene diazonium chloride → 4-(3,3-dimethyl-1-triazeno)benzamide (33330-91-5,67382-88-1)

Guidance literature:

DOI:10.1107/S0108270195008419

Reference yield:

4-aminobenzamide (2835-68-9) + dimethyl amine (124-40-3) → 1-(4'-carbamoylphenyl)-3,3-dimethyltriazene (33330-91-5,67382-88-1)

Guidance literature:

With hydrogenchloride; sodium hydrogencarbonate; sodium nitrite; Multistep reaction; 1.) water, 0 deg C, 0.5 h, 2.) water, 0.5 h;

DOI:10.1021/jm00373a011

Reference yield:

4-aminobenzamide (2835-68-9) → 4-(3,3-dimethyl-1-triazeno)benzamide (33330-91-5,67382-88-1)

Guidance literature:

Multi-step reaction with 2 steps

1: NaNO₂, hydrochloric acid

2: 34 percent

With hydrogenchloride; sodium nitrite;

DOI:10.1107/S0108270195008419

upstream raw materials:

4-aminobenzamide

dimethyl amine