2-Propenoic acid, 3-(4-(3,3-dimethyl-1-triazenyl)phenyl)-

Base Information

• Chemical Name: 2-Propenoic acid, 3-(4-(3,3-dimethyl-1-triazenyl)phenyl)-
• CAS No.: 59971-42-5
• Molecular Formula: C11H13N3O2
• Molecular Weight: 219.2398
• NSC Number: 289112
• DSSTox Substance ID: DTXSID70876395
• Nikkaji Number: J75.251G
• Mol file: 59971-42-5.mol

Synonyms:59971-42-5;p-(3,3-Dimethyltriazeno)cinnamic acid;BRN 1819494;2-Propenoic acid, 3-(4-(3,3-dimethyl-1-triazenyl)phenyl)-;CINNAMIC ACID, p-(3,3-DIMETHYLTRIAZENO)-;2-Propenoic acid, 3-[4-(3,3-dimethyl-1-triazenyl)phenyl]-;NSC289112;DTXSID70876395;NSC-289112;LS-54099;p-(3,3-Dimethyl-1-triazeno)cinnamic acid;2-Propenoic acid,3-dimethyl-1-triazenyl)phenyl]-;3-[p-(3,3-Dimethyl-1-triazeno)phenyl]propenoic acid

Chemical Property of 2-Propenoic acid, 3-(4-(3,3-dimethyl-1-triazenyl)phenyl)-

Chemical Property:

• Vapor Pressure: 3.49E-06mmHg at 25°C
• Boiling Point: 371.7°Cat760mmHg
• PKA: 4.48±0.10(Predicted)
• Flash Point: 178.6°C
• PSA: 65.26000
• Density: 1.12g/cm³
• LogP: 2.34470
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 219.100776666
• Heavy Atom Count: 16
• Complexity: 279

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Propenoic acid, 3-(4-(3,3-dimethyl-1-triazenyl)phenyl)-

There total 2 articles about 2-Propenoic acid, 3-(4-(3,3-dimethyl-1-triazenyl)phenyl)- 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:

p-aminocinnamic acid (2393-18-2) + dimethyl amine (124-40-3) → p-(3,3-dimethyl-1-triazeno)cinnamic acid (59971-42-5)

Guidance literature:

With cis-nitrous acid; Multistep reaction;

Reference yield:

→ p-(3,3-dimethyl-1-triazeno)cinnamic acid (59971-42-5)

Guidance literature:

/BRN= 819700/ und Dimethylamin;

DOI:10.1021/jm00233a009

upstream raw materials:

p-aminocinnamic acid

dimethyl amine

Refernces