5-Amino-2-propoxybenzoic acid

Base Information

• Chemical Name: 5-Amino-2-propoxybenzoic acid
• CAS No.: 13851-59-7
• Molecular Formula: C10H13NO3
• Molecular Weight: 195.2151
• DSSTox Substance ID: DTXSID40160697
• Wikidata: Q83029046
• Mol file: 13851-59-7.mol

Synonyms:5-Amino-2-propoxybenzoic acid;BENZOIC ACID, 5-AMINO-2-PROPOXY-;13851-59-7;M & B 8995;BRN 2968671;starbld0031923;SCHEMBL732667;DTXSID40160697;LS-36007

Chemical Property of 5-Amino-2-propoxybenzoic acid

Chemical Property:

• Vapor Pressure: 1.47E-06mmHg at 25°C
• Boiling Point: 383.3°Cat760mmHg
• Flash Point: 185.6°C
• Density: 1.21g/cm³
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 195.08954328
• Heavy Atom Count: 14
• Complexity: 196

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOC1=C(C=C(C=C1)N)C(=O)O

Technology Process of 5-Amino-2-propoxybenzoic acid

There total 2 articles about 5-Amino-2-propoxybenzoic 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:

5-nitro-2-propoxybenzoic acid (13736-91-9) → 5-amino-2-propoxybenzoic acid (13851-59-7)

Guidance literature:

(catalytic reduction);

DOI:10.1039/j39660002196

Reference yield:

2-propoxybenzoic acid (2100-31-4) → 5-amino-2-propoxybenzoic acid (13851-59-7)

Guidance literature:

Multi-step reaction with 2 steps

1: NO₂/HNO₃ / acetic acid

2: (catalytic reduction)

With nitric acid; Nitrogen dioxide; In acetic acid;

DOI:10.1039/j39660002196

upstream raw materials:

5-nitro-2-propoxybenzoic acid

2-propoxybenzoic acid

Refernces

• 1、 Collins,Davis. "The chemotherapy of schistosomiasis. 8. 2-carboxy- and 2-carbamoyl-4-aminophenyl ethers.". . p. 2196 - 2201. Retrieved 2007/10/06.