4-[Bis(prop-2-enyl)amino]benzoic acid

Base Information

• Chemical Name: 4-[Bis(prop-2-enyl)amino]benzoic acid
• CAS No.: 35754-95-1
• Molecular Formula: C13H15 N O2
• Molecular Weight: 217.2637
• NSC Number: 137547
• DSSTox Substance ID: DTXSID90300546
• Wikidata: Q82043678
• Mol file: 35754-95-1.mol

Synonyms:4-[bis(prop-2-enyl)amino]benzoic acid;4-(diprop-2-en-1-ylamino)benzoic acid;35754-95-1;4-[bis(prop-2-en-1-yl)amino]benzoic acid;NSC137547;4-diallylamino-benzoic acid;SCHEMBL250420;DTXSID90300546;ADAL1059085;AKOS000260080;NSC-137547;F1908-1740

Chemical Property of 4-[Bis(prop-2-enyl)amino]benzoic acid

Chemical Property:

• Vapor Pressure: 4.07E-06mmHg at 25°C
• Boiling Point: 369.6°Cat760mmHg
• Flash Point: 177.4°C
• Density: 1.107g/cm³
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 217.110278721
• Heavy Atom Count: 16
• Complexity: 245

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCN(CC=C)C1=CC=C(C=C1)C(=O)O

Technology Process of 4-[Bis(prop-2-enyl)amino]benzoic acid

There total 3 articles about 4-[Bis(prop-2-enyl)amino]benzoic acid 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: 95.0%

4-diallylaminobenzoic acid allyl ester (1332359-36-0) → 4-(diallylamino)benzoic acid (35754-95-1)

Guidance literature:

4-diallylaminobenzoic acid allyl ester; With sodium hydroxide; In methanol; water; at 20 ℃; for 12h;

With hydrogenchloride; In water;

DOI:10.1021/acs.cgd.9b00764

Reference yield:

4-amino-benzoic acid (150-13-0,159246-81-8,8014-65-1) → 4-(diallylamino)benzoic acid (35754-95-1)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / N,N-dimethyl-formamide

2: sodium hydroxide / water; methanol / 12 h / 20 °C

With potassium carbonate; sodium hydroxide; In methanol; water; N,N-dimethyl-formamide;

DOI:10.1021/acs.cgd.9b00764

Reference yield:

allyl iodid (556-56-9) + ethanol (64-17-5) + 4-amino-benzoic acid (150-13-0,159246-81-8,8014-65-1) → 4-(diallylamino)benzoic acid (35754-95-1)

Guidance literature:

upstream raw materials:

allyl iodid

ethanol

4-amino-benzoic acid

4-diallylaminobenzoic acid allyl ester