Methyl 3-amino-2-methoxybenzoate

Base Information

• Chemical Name: Methyl 3-amino-2-methoxybenzoate
• CAS No.: 5129-25-9
• Molecular Formula: C9H11 N O3
• Molecular Weight: 181.191
• Hs Code.: 2922509090
• DSSTox Substance ID: DTXSID30537374
• Nikkaji Number: J3.242.739A
• Wikidata: Q82412348
• Mol file: 5129-25-9.mol

Synonyms:Methyl 3-amino-2-methoxybenzoate;5129-25-9;3-AMINO-2-METHOXY-BENZOIC ACID METHYL ESTER;MFCD09701222;SCHEMBL177123;Methyl3-amino-2-methoxybenzoate;DTXSID30537374;methyl 2-methoxy-3-aminobenzoate;MHHWLOGSLYQTTL-UHFFFAOYSA-N;methyl 3-amino-2-methoxy-benzoate;AKOS006331274;SB37431;SY311272;CS-0077563;D73910;EN300-263778;A828517

Chemical Property of Methyl 3-amino-2-methoxybenzoate

Chemical Property:

• Boiling Point: 140 °C(Press: 0.01 Torr)
• PKA: 3.39±0.10(Predicted)
• PSA: 61.55000
• Density: 1.179±0.06 g/cm3(Predicted)
• LogP: 1.64520
• Storage Temp.: 2-8°C
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 181.07389321
• Heavy Atom Count: 13
• Complexity: 184

Purity/Quality:

99%, ^*data from raw suppliers

Methyl3-Amino-2-methoxybenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 3-amino-2-methoxybenzoate

There total 4 articles about Methyl 3-amino-2-methoxybenzoate 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: 100.0%

2-methoxy-3-nitro-benzoic acid methyl ester (90564-26-4) → 2-methoxy-3-methoxycarbonylaniline (5129-25-9)

Guidance literature:

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

DOI:10.1021/ol801980h

Reference yield: 64.0%

2-methoxybenzoic acid methyl ester (606-45-1) → 2-methoxy-3-methoxycarbonylaniline (5129-25-9) + methyl 2-methoxy-5-aminobenzoate (22802-67-1)

Guidance literature:

2-methoxybenzoic acid methyl ester; With pyridine; trifluorormethanesulfonic acid; tetrabutylammonium tetrafluoroborate; In acetonitrile; at 25 ℃; Electrochemical reaction;

With piperidine; In acetonitrile; at 80 ℃; for 12h; Overall yield = 92 %; Electrochemical reaction;

DOI:10.1021/ja402083e

Reference yield:

2-hydroxy-3-nitro-benzoic acid methyl ester (22621-41-6) → 2-methoxy-3-methoxycarbonylaniline (5129-25-9)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In 1,4-dioxane; ethanol; water; for 5.5h;

upstream raw materials:

2-hydroxy-3-nitro-benzoic acid methyl ester

2-methoxy-3-nitro-benzoic acid methyl ester

2-methoxybenzoic acid methyl ester

3-nitrosalicylic acid

Downstream raw materials:

C₁₈H₁₈FNO₄

methyl 3-{[(4-chlorophenyl)(methyl)amino]sulfonyl}-2-methoxybenzoate

C₂₅H₃₂N₂O₈

C₂₀H₂₂N₂O₈

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