4-Amino-2-isopropoxy-benzoic acid

Base Information

• Chemical Name: 4-Amino-2-isopropoxy-benzoic acid
• CAS No.: 2486-78-4
• Molecular Formula: C10H13NO3
• Molecular Weight: 195.218
• European Community (EC) Number: 849-635-2
• Mol file: 2486-78-4.mol

Synonyms:4-amino-2-isopropoxy-benzoic acid;2486-78-4;4-amino-2-(propan-2-yloxy)benzoic acid;4-amino-2-propan-2-yloxybenzoic acid;SCHEMBL730026;4-Amino-2-isopropoxybenzoicacid;4-Amino-2-isopropoxybenzoic acid;CAA48678;AKOS013366415;CS-0244593;EN300-2836698

Chemical Property of 4-Amino-2-isopropoxy-benzoic acid

Chemical Property:

• Boiling Point: 371.8±27.0 °C(Predicted)
• Density: 1?+-.0.06 g/cm3(Predicted)
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 195.08954328
• Heavy Atom Count: 14
• Complexity: 206

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)OC1=C(C=CC(=C1)N)C(=O)O

Technology Process of 4-Amino-2-isopropoxy-benzoic acid

There total 4 articles about 4-Amino-2-isopropoxy-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: 92.0%

isopropyl 2-isopropoxy-4-nitrobenzoate (1394990-44-3) → 4-amino-2-isopropoxybenzoic acid (2486-78-4) + (Z)-1,2-bis(4-carboxy-3-isopropoxyphenyl)diazene-1-oxide

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; ethanol; water; at 80 ℃; for 15h;

DOI:10.24820/ark.5550190.p011.489

Reference yield:

isopropyl 2-isopropoxy-4-nitrobenzoate (1394990-44-3) → 2-isopropoxy-4-nitrobenzoic acid (1319746-14-9) + 4-amino-2-isopropoxybenzoic acid (2486-78-4) + (Z)-1,2-bis(4-carboxy-3-isopropoxyphenyl)diazene-1-oxide

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; ethanol; water; at 60 ℃;

DOI:10.24820/ark.5550190.p011.489

Reference yield:

2-hydroxy-4-nitrobenzoic acid (619-19-2) → 4-amino-2-isopropoxybenzoic acid (2486-78-4) + (Z)-1,2-bis(4-carboxy-3-isopropoxyphenyl)diazene-1-oxide

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / N,N-dimethyl-formamide / 16 h / 20 °C

2: sodium hydroxide / tetrahydrofuran; water; ethanol / 60 °C

With potassium carbonate; sodium hydroxide; In tetrahydrofuran; ethanol; water; N,N-dimethyl-formamide;

DOI:10.24820/ark.5550190.p011.489

upstream raw materials:

4-acetylamino-2-isopropoxy-benzoic acid methyl ester

isopropyl 2-isopropoxy-4-nitrobenzoate

2-hydroxy-4-nitrobenzoic acid