Benzoic acid, 3,5-bis[4-(acetylamino)phenoxy]-

Base Information

• Chemical Name: Benzoic acid, 3,5-bis[4-(acetylamino)phenoxy]-
• CAS No.: 575450-27-0
• Molecular Formula: C23H20N2O6
• Molecular Weight: 420.422
• DSSTox Substance ID: DTXSID40465997
• Nikkaji Number: J2.188.043D
• Wikidata: Q82292351
• Mol file: 575450-27-0.mol

Synonyms:Benzoic acid, 3,5-bis[4-(acetylamino)phenoxy]-;575450-27-0;SCHEMBL14128850;DTXSID40465997

Chemical Property of Benzoic acid, 3,5-bis[4-(acetylamino)phenoxy]-

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 420.13213636
• Heavy Atom Count: 31
• Complexity: 580

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=CC=C(C=C1)OC2=CC(=CC(=C2)C(=O)O)OC3=CC=C(C=C3)NC(=O)C

Technology Process of Benzoic acid, 3,5-bis[4-(acetylamino)phenoxy]-

There total 2 articles about Benzoic acid, 3,5-bis[4-(acetylamino)phenoxy]- 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: 98.0%

acetyl chloride (75-36-5) + 3,5-bis(4-aminophenyloxy)benzoic acid (195189-45-8) → 3,5-bis-(4-acetylamino-phenoxy)-benzoic acid (575450-27-0)

Guidance literature:

In 1-methyl-pyrrolidin-2-one; at 0 ℃; for 3h;

DOI:10.1021/ol035595s DOI:10.1021/ma0478456

Reference yield: 90.0%

acetic acid (64-19-7,77671-22-8) + 3,5-bis(4-aminophenyloxy)benzoic acid (195189-45-8) → 3,5-bis-(4-acetylamino-phenoxy)-benzoic acid (575450-27-0)

Guidance literature:

acetic acid; With diphenyl (2,3-dihydro-2-thioxo-3-benzoxazolyl)phosphonate; triethylamine; In 1-methyl-pyrrolidin-2-one; at 20 ℃; for 1h;

3,5-bis(4-aminophenyloxy)benzoic acid; In 1-methyl-pyrrolidin-2-one; for 1h;

DOI:10.1021/ja034665n

Reference yield: 92.0%

3,5-bis(4-aminophenyloxy)benzoic acid (195189-45-8) + 3,5-bis-(4-acetylamino-phenoxy)-benzoic acid (575450-27-0) → 3,5-bis-{4-[3,5-bis-(4-acetylamino-phenoxy)-benzoylamino]-phenoxy}-benzoic acid

Guidance literature:

3,5-bis-(4-acetylamino-phenoxy)-benzoic acid; With thionyl chloride; In 1-methyl-pyrrolidin-2-one; at 0 - 20 ℃; for 0.5h;

3,5-bis(4-aminophenyloxy)benzoic acid; In 1-methyl-pyrrolidin-2-one; at 20 ℃; for 4h;

DOI:10.1021/ma0478456

upstream raw materials:

acetic acid

3,5-bis(4-aminophenyloxy)benzoic acid

acetyl chloride

Downstream raw materials:

3,5-bis-(4-acetylamino-phenoxy)-benzoyl chloride