3-Amino-4-butyramido-5-methyl benzoic acid

Base Information

• Chemical Name: 3-Amino-4-butyramido-5-methyl benzoic acid
• CAS No.: 884330-16-9
• Molecular Formula: C₁₂H₁₆N₂O₃
• Molecular Weight: 236.271
• DSSTox Substance ID: DTXSID001229528
• Mol file: 884330-16-9.mol

Synonyms:884330-16-9;Benzoic acid, 3-amino-5-methyl-4-[(1-oxobutyl)amino]-;3-AMINO-4-BUTYRAMIDO-5-METHYL BENZOIC ACID;SCHEMBL1777475;AVLBZYYTOCUXHJ-UHFFFAOYSA-N;DTXSID001229528;3-amino-4-butanamido-5-methylbenzoic acid;EN300-312370;3-Amino-5-methyl-4-[(1-oxobutyl)amino]benzoic acid

Chemical Property of 3-Amino-4-butyramido-5-methyl benzoic acid

Chemical Property:

• XLogP3: 1.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 236.11609238
• Heavy Atom Count: 17
• Complexity: 294

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCC(=O)NC1=C(C=C(C=C1C)C(=O)O)N

Technology Process of 3-Amino-4-butyramido-5-methyl benzoic acid

There total 1 articles about 3-Amino-4-butyramido-5-methyl 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:

3-methyl-4-butyrylamino-5-aminobenzoic acid methyl ester (675882-71-0) → 3-amino-4-butyramido-5-methylbenzoic acid (884330-16-9)

Guidance literature:

3-methyl-4-butyrylamino-5-aminobenzoic acid methyl ester; With methanol; sodium hydroxide; water; at 60 - 65 ℃;

With hydrogenchloride; In methanol; water; at 25 - 35 ℃; for 2h; pH=1 - 2;

Reference yield:

3-amino-4-butyramido-5-methylbenzoic acid (884330-16-9) → 4-methyl-2-n-propyl-1H-benzimidazole-6-carboxylic acid (152628-03-0)

Guidance literature:

With acetic acid; at 60 - 65 ℃; Product distribution / selectivity;

Reference yield:

3-amino-4-butyramido-5-methylbenzoic acid (884330-16-9) + N-methyl-1,2-phenylenediamine (4760-34-3) → 3-amino-4-butyrylamino-5-methyl-N-(2-methylaminophenyl)benzamide (884330-17-0)

Guidance literature:

With dmap; dicyclohexyl-carbodiimide; In dichloromethane; Heating / reflux;

upstream raw materials:

3-methyl-4-butyrylamino-5-aminobenzoic acid methyl ester

Downstream raw materials:

3-amino-4-butyrylamino-5-methyl-N-(2-methylaminophenyl)benzamide

4-methyl-2-n-propyl-1H-benzimidazole-6-carboxylic acid