Methyl 3-Amino-4-methoxybenzoate

Base Information

• Chemical Name: Methyl 3-Amino-4-methoxybenzoate
• CAS No.: 24812-90-6
• Molecular Formula: C9H11 N O3
• Molecular Weight: 181.191
• Hs Code.: 29224999
• European Community (EC) Number: 918-549-8,627-693-8
• DSSTox Substance ID: DTXSID80370516
• Nikkaji Number: J62.068H
• Wikidata: Q72487021
• Mol file: 24812-90-6.mol

Synonyms:Methyl 3-Amino-4-methoxybenzoate;24812-90-6;3-Amino-4-methoxybenzoic Acid Methyl Ester;Benzoic acid, 3-amino-4-methoxy-, methyl ester;3-Amino-4-methoxy-benzoic acid methyl ester;2-methoxy-5-methoxycarbonylaniline;MFCD00017196;3-amino-4-methoxy benzoic acid methyl ester;methyl-3-amino-4-methoxybenzoate;3-Amino-p-anisic Acid Methyl Ester;3-Amino-4-methoxy-benzoicacidmethylester;m-Aminoanissauremethylester;Methyl 3-Amino-p-anisate;SCHEMBL51894;DTXSID80370516;Methyl 4-methoxy-3-aminobenzoate;STR09418;BBL011839;STK727353;AKOS000113324;AC-3886;AM83067;CS-W017157;Methyl 3-amino-4-methoxybenzoate, 97%;SY034451;TS-02531;A5076;FT-0601340;M1715;EN300-731704;J-015685

Chemical Property of Methyl 3-Amino-4-methoxybenzoate

Chemical Property:

• Appearance/Colour: White to light yellow crystal powder
• Vapor Pressure: 0.000223mmHg at 25°C
• Melting Point: 84-86°C
• Boiling Point: 325.9 °C at 760 mmHg
• PKA: 3.39±0.10(Predicted)
• Flash Point: 169.9 °C
• PSA: 61.55000
• Density: 1.179 g/cm³
• LogP: 1.64520
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: soluble in Methanol
• XLogP3: 1.1
• 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:

98%,99%, ^*data from raw suppliers

Methyl 3-amino-4-methoxybenzoate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 20/21/22-36/37/38-22
• Safety Statements: 22-26-36/37/39-24/25

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C(=O)OC)N

Technology Process of Methyl 3-Amino-4-methoxybenzoate

There total 12 articles about Methyl 3-Amino-4-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%

→ methyl 3-amino-4-methoxybenzoate (24812-90-6)

Guidance literature:

With 5%-palladium/activated carbon; hydrogen; In methanol; at 20 ℃;

Reference yield: 98.0%

methanol (67-56-1) + 3-amino-4-methoxybenzoic acid (2840-26-8) → methyl 3-amino-4-methoxybenzoate (24812-90-6)

Guidance literature:

With thionyl chloride; for 2h; Heating;

DOI:10.1016/j.bmcl.2007.07.056

Reference yield: 95.0%

diazomethane (186581-53-3,908094-01-9,334-88-3) + 3-amino-4-methoxybenzoic acid (2840-26-8) → methyl 3-amino-4-methoxybenzoate (24812-90-6)

Guidance literature:

In diethyl ether;

DOI:10.1016/j.bmc.2003.08.029

upstream raw materials:

methyl 4-methoxy-3-nitrobenzoate

methyl iodide

diazomethane

3-amino-4-methoxybenzoic acid

Downstream raw materials:

3-isocyanato-4-methoxy-benzoic acid methyl ester

4-Methoxy-3-((Z)-octadec-9-enoylamino)-benzoic acid methyl ester

4-Methoxy-3-(4-methyl-piperazin-1-yl)-benzoic acid methyl ester

3-[(2-Chloro-pyridine-3-carbonyl)-amino]-4-methoxy-benzoic acid methyl ester

Refernces

• 1、 -. "FUSED BICYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE". Paragraph 00196; 00277. . Retrieved 2019/03/05.
• 2、 Heimburg, Tino,Chakrabarti, Alokta,Lancelot, Julien,Marek, Martin,Melesina, Jelena,Hauser, Alexander-Thomas,Shaik, Tajith B.,Duclaud, Sylvie,Robaa, Dina,Erdmann, Frank,Schmidt, Matthias,Romier, Christophe,Pierce, Raymond J.,Jung, Manfred,Sippl, Wolfgang. "Structure-Based Design and Synthesis of Novel Inhibitors Targeting HDAC8 from Schistosoma mansoni for the Treatment of Schistosomiasis". supporting information. p. 2423 - 2435. Retrieved 2016/04/10.