3-Amino-2-methoxybenzoic acid

Base Information

• Chemical Name: 3-Amino-2-methoxybenzoic acid
• CAS No.: 861306-04-9
• Molecular Formula: C8H9 N O3
• Molecular Weight: 167.164
• Hs Code.: 2922509090
• European Community (EC) Number: 626-734-7
• DSSTox Substance ID: DTXSID80600587
• Nikkaji Number: J2.822.225D
• Wikidata: Q82496737
• Mol file: 861306-04-9.mol

Synonyms:3-Amino-2-methoxybenzoic acid;861306-04-9;3-Amino-2-methoxy-benzoic acid;Benzoic acid,3-amino-2-methoxy-;3-Amino-o-anisic Acid;MFCD09701221;amino-methoxybenzoic acid;SCHEMBL1708883;DTXSID80600587;ZBQFWVIYNLHFMO-UHFFFAOYSA-N;AMY28392;STR11963;3-AMINO-2-METHOXYBENZOICACID;3-Amino-2-methoxybenzoic acid, 96%;AKOS022182239;SB39117;SY234207;DB-076561;CS-0099472;EN300-250368;F19993;A928517

Chemical Property of 3-Amino-2-methoxybenzoic acid

Chemical Property:

• Melting Point: 98-102 °C
• Boiling Point: 353.3±27.0 °C(Predicted)
• PKA: 3.23±0.10(Predicted)
• PSA: 72.55000
• Density: 1.303±0.06 g/cm3(Predicted)
• LogP: 1.55680
• Storage Temp.: 2-8°C
• Solubility.: soluble in Methanol
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 167.058243149
• Heavy Atom Count: 12
• Complexity: 172

Purity/Quality:

97% ^*data from raw suppliers

3-Amino-2-methoxybenzoic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC=C1N)C(=O)O

Technology Process of 3-Amino-2-methoxybenzoic acid

There total 3 articles about 3-Amino-2-methoxybenzoic 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: 94.0%

2-methoxy-3-nitrobenzoic acid (40751-88-0) → 3-amino-2-methoxybenzoic acid (861306-04-9)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 40 ℃; for 3h;

DOI:10.1021/ol200538d

Reference yield:

benzyl 2-methoxy-3-nitrobenzoate (912577-35-6) → 3-amino-2-methoxybenzoic acid (861306-04-9)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; for 2h;

DOI:10.1016/j.tetlet.2008.06.050

Reference yield:

→ 3-amino-2-methoxybenzoic acid (861306-04-9)

Guidance literature:

With iron(II) hydroxide;

upstream raw materials:

benzyl 2-methoxy-3-nitrobenzoate

2-methoxy-3-nitrobenzoic acid

Downstream raw materials:

3-iodo-2-methoxy-benzoic acid

C₈H₁₁NO₂

C₁₄H₁₃NO₆

C₁₅H₁₃BrN₂O₄