Benzoic acid, 3-(methylamino)-, methyl ester

Base Information

• Chemical Name: Benzoic acid, 3-(methylamino)-, methyl ester
• CAS No.: 104542-38-3
• Molecular Formula: C9H11NO2
• Molecular Weight: 165.192
• DSSTox Substance ID: DTXSID10447583
• Nikkaji Number: J1.052.984K

Synonyms:104542-38-3;Benzoic acid, 3-(methylamino)-, methyl ester;methyl 3-(methylamino)benzoate;Methyl 3-methylaminobenzoate;SCHEMBL694145;DTXSID10447583;SIAMCUXFDUNWAK-UHFFFAOYSA-N;3-methylaminobenzoic acid methyl ester;AKOS012391869;3-methylamino-benzoic acid methyl ester;3-(Methylamino)benzoic acid methyl ester;FT-0707694;EN300-1254579;Z1082871350

Chemical Property of Benzoic acid, 3-(methylamino)-, methyl ester

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 165.078978594
• Heavy Atom Count: 12
• Complexity: 159

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC1=CC=CC(=C1)C(=O)OC

Technology Process of Benzoic acid, 3-(methylamino)-, methyl ester

There total 13 articles about Benzoic acid, 3-(methylamino)-, methyl ester 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: 85.0%

methyl 3-((tert-butoxycarbonyl)(methyl)amino)benzoate (168162-31-0) → methyl 3-(methylamino)benzoate (104542-38-3)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 12h;

DOI:10.1016/j.bmc.2017.05.017

Reference yield: 70.0%

3-(dimethylamino)benzoic acid methyl ester (16518-64-2) → methyl 3-(methylamino)benzoate (104542-38-3)

Guidance literature:

3-(dimethylamino)benzoic acid methyl ester; With 1,4-diaza-bicyclo[2.2.2]octane; rose bengal; acetic acid; In acetonitrile; at 20 ℃; for 2h; Flow reactor; Irradiation;

With sulfuric acid; In methanol; water; at 20 ℃; for 12h;

DOI:10.1002/adsc.201601108

Reference yield: 62.0%

methyl 3-(azidomethyl)benzoate (180863-54-1) → methyl 3-(methylamino)benzoate (104542-38-3)

Guidance literature:

With triethylsilane; tin(IV) chloride; In dichloromethane; at 0 - 5 ℃;

DOI:10.1016/S0040-4039(99)00148-3

upstream raw materials:

methanol

meta-(methylamino)benzoic acid

methyl 3-(azidomethyl)benzoate

meta-aminobenzoic acid

Downstream raw materials:

methyl 3-(N-methyl-3-nitrobenzamido)benzoate

meta-(methylamino)benzoic acid

3-({2-[5-cyclohexyl-1-(3,3-dimethyl-2-oxo-butyl)-2-oxo-1,2-dihydro-3H-1,3,4-benzotriazepin-3-yl]-acetyl}-methyl-amino)-benzoic acid methyl ester

methyl 3-(N-methylacrylamido)benzoate

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