3-[[4-[(3-Carboxyphenyl)iminomethyl]phenyl]methylideneamino]benzoic acid

Base Information

• Chemical Name: 3-[[4-[(3-Carboxyphenyl)iminomethyl]phenyl]methylideneamino]benzoic acid
• CAS No.: 104752-19-4
• Molecular Formula: C22H16N2O4
• Molecular Weight: 372.37300
• Hs Code.: 2925290090
• European Community (EC) Number: 666-912-1
• DSSTox Substance ID: DTXSID20362490
• Mol file: 104752-19-4.mol

Synonyms:CBDivE_005486;104752-19-4;DTXSID20362490;3-[[4-[(3-carboxyphenyl)iminomethyl]phenyl]methylideneamino]benzoic acid;AKOS001574170;N,N'-TEREPHTHALYLIDENEBIS(3-CARBOXYANILINE);3,3'-{1,4-phenylenebis[(E)methylylidenenitrilo]}dibenzoic acid

Chemical Property of 3-[[4-[(3-Carboxyphenyl)iminomethyl]phenyl]methylideneamino]benzoic acid

Chemical Property:

• PSA: 99.32000
• LogP: 4.58420
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 372.11100700
• Heavy Atom Count: 28
• Complexity: 543

Purity/Quality:

N,N'-TEREPHTHALYLIDENEBIS(3-CARBOXYANILINE) Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)N=CC2=CC=C(C=C2)C=NC3=CC=CC(=C3)C(=O)O)C(=O)O

Technology Process of 3-[[4-[(3-Carboxyphenyl)iminomethyl]phenyl]methylideneamino]benzoic acid

There total 2 articles about 3-[[4-[(3-Carboxyphenyl)iminomethyl]phenyl]methylideneamino]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: 97.0%

terephthalaldehyde, (623-27-8) + meta-aminobenzoic acid (99-05-8,159139-79-4) → N,N'-terephthalylidenebis(m-aminobenzoic acid) (104752-19-4)

Guidance literature:

In benzene; at 20 ℃; for 24h;

DOI:10.1080/104265090508172

Reference yield:

1,4-diethylbenzene (105-05-5) + meta-aminobenzoic acid (99-05-8,159139-79-4) → N,N'-terephthalylidenebis(m-aminobenzoic acid) (104752-19-4)

Guidance literature:

In ethanol; Sonication;

DOI:10.1016/j.jallcom.2021.158764

Reference yield: 89.0%

N,N'-terephthalylidenebis(m-aminobenzoic acid) (104752-19-4) + Dibenzyl phosphite (17176-77-1) → tetrabenzyl 1,4-phenylenebis(N-m-carboxyphenylaminomethane)bisphosphonate

Guidance literature:

In toluene; for 5h; Heating;

DOI:10.1080/104265090508172

upstream raw materials:

terephthalaldehyde,

meta-aminobenzoic acid

1,4-diethylbenzene

Downstream raw materials:

MSX-214