5-((2-Hydroxybenzylidene)amino)isophthalic acid

Base Information

• Chemical Name: 5-((2-Hydroxybenzylidene)amino)isophthalic acid
• CAS No.: 49861-12-3
• Molecular Formula: C15H11NO5
• Molecular Weight: 285.256
• NSC Number: 124029
• ChEMBL ID: CHEMBL1474534,CHEMBL1968066
• Mol file: 49861-12-3.mol

Synonyms:NSC124029;NSC-124029;49861-12-3;NCIStruc1_001934;NCIStruc2_000933;CHEMBL1474534;CHEMBL1968066;SCHEMBL17111084;CCG-37570;NCGC00014268;NCI124029;NCGC00014268-02;NCGC00097377-01;NCI60_000566;5-[(2-hydroxybenzylene)amino]isophthalic acid;5-((2-hydroxybenzylidene)amino)isophthalic acid;(e)-5-(2-hydroxybenzylideneamino)isophthalic acid

Chemical Property of 5-((2-Hydroxybenzylidene)amino)isophthalic acid

Chemical Property:

• Vapor Pressure: 6.63E-14mmHg at 25°C
• Boiling Point: 571.6°Cat760mmHg
• Flash Point: 299.5°C
• Density: 1.592g/cm³
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 285.06372245
• Heavy Atom Count: 21
• Complexity: 400

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C=NC2=CC(=CC(=C2)C(=O)O)C(=O)O)O

Technology Process of 5-((2-Hydroxybenzylidene)amino)isophthalic acid

There total 2 articles about 5-((2-Hydroxybenzylidene)amino)isophthalic 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: 80.0%

5-aminoisophthalic acid (99-31-0) + salicylaldehyde (90-02-8) → 5-{[(2-hydroxyphenyl)methylene]amino}benzene-1,3-dicarboxylic acid (49861-12-3)

Guidance literature:

In ethanol; at 78 ℃; for 5h; Inert atmosphere;

DOI:10.1039/c8dt04681f

Reference yield:

5-aminoisophthalic acid (99-31-0) + o-aminobenzaldehyde (529-23-7) → 5-{[(2-hydroxyphenyl)methylene]amino}benzene-1,3-dicarboxylic acid (49861-12-3)

Guidance literature:

In methanol; Reflux;

DOI:10.1039/c4cc03537b

Reference yield: 92.0%

5-{[(2-hydroxyphenyl)methylene]amino}benzene-1,3-dicarboxylic acid (49861-12-3) → 5-{[(2-hydroxyphenyl)methyl]amino}benzene-1,3-dicarboxylic acid

Guidance literature:

With hydrogenchloride; sodium tetrahydroborate; water; sodium hydroxide; In ethanol; N,N-dimethyl-formamide; at 20 ℃; for 1.03333h;

upstream raw materials:

5-aminoisophthalic acid

o-aminobenzaldehyde

salicylaldehyde

Refernces

• 1、 Zhang, Lai-Jun,Qi, Li,Chen, Xiu-Ying,Liu, Feng,Liu, Li-Juan,Ding, Wen-Li,Li, De-Lin,Yuan, Guo-Cai,Tong, Ji-Zao,Chen, Fa-Yun,Huang, Hai-Jin,Wang, Yong-Hua. "Synthesis, Crystal Structure and Photophysical Properties of Two Reduced Schiff Bases Derived from 5-Aminoisophthalic Acid". . p. 260 - 266. Retrieved 2019/01/04.