4-Amino-3-butoxybenzoic acid

Base Information

• Chemical Name: 4-Amino-3-butoxybenzoic acid
• CAS No.: 23442-22-0
• Molecular Formula: C11H15NO3
• Molecular Weight: 209.245
• Hs Code.: 2922509090
• DSSTox Substance ID: DTXSID40433398
• Nikkaji Number: J431.692D
• Wikidata: Q82247527
• Mol file: 23442-22-0.mol

Synonyms:4-amino-3-butoxybenzoic acid;23442-22-0;3-BUTOXY-4-AMINOBENZOIC ACID;Benzoic acid, 4-amino-3-butoxy-;Oxybuprocaine Hydrochloride Imp. B (EP);Oxybuprocaine Imp. B (EP);4-Amino-3-butoxybenzoic Acid;Oxybuprocaine Hydrochloride Impurity B;Oxybuprocaine Impurity B;4-amino-3-butoxybenzoicacid;p-amino-m-butoxy-benzoic acid;SCHEMBL5925659;DTXSID40433398;YAA44222;AKOS009475989;SB78673;AS-60421;CS-0372659;D97179;Oxybuprocaine Hydrochloride Imp. B (EP): 4-Amino-3-butoxybenzoic Acid

Chemical Property of 4-Amino-3-butoxybenzoic acid

Chemical Property:

• Melting Point: 123-125 °C
• Boiling Point: 383.501 °C at 760 mmHg
• PKA: 4.72±0.10(Predicted)
• Flash Point: 185.735 °C
• PSA: 72.55000
• Density: 1.177 g/cm³
• LogP: 2.72710
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 209.10519334
• Heavy Atom Count: 15
• Complexity: 208

Purity/Quality:

99% ^*data from raw suppliers

4-Amino-3-butoxybenzoicacid 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC1=C(C=CC(=C1)C(=O)O)N

Technology Process of 4-Amino-3-butoxybenzoic acid

There total 2 articles about 4-Amino-3-butoxybenzoic 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:

benoxinate (99-43-4) → 3-butoxy-4-aminobenzoic acid (23442-22-0)

Guidance literature:

With hydrogenchloride; In water; at 110 ℃; for 2h;

DOI:10.1002/jps.2600760408

Reference yield:

→ 3-butoxy-4-aminobenzoic acid (23442-22-0)

Guidance literature:

aus der Nitroverb. I mit H2/Pd/C;

Reference yield:

3-butoxy-4-aminobenzoic acid (23442-22-0) → 4-Amino-3-butoxy-benzoyl chloride (23442-23-1)

Guidance literature:

With thionyl chloride; at 50 ℃; for 0.5h;

DOI:10.1002/jps.2600760408

upstream raw materials:

benoxinate

Downstream raw materials:

4-Amino-3-butoxy-benzoyl chloride

Refernces