Methyl 3-amino-4-ethylbenzoate

Base Information

• Chemical Name: Methyl 3-amino-4-ethylbenzoate
• CAS No.: 24812-93-9
• Molecular Formula: C10H13NO2
• Molecular Weight: 179.219
• European Community (EC) Number: 899-369-6
• Mol file: 24812-93-9.mol

Synonyms:methyl 3-amino-4-ethylbenzoate;24812-93-9;3-Amino-4-ethyl-benzoic acid methyl ester;methyl3-amino-4-ethylbenzoate;SCHEMBL12693538;ADYSZCGUXDZDGN-UHFFFAOYSA-N;AKOS012322560;3-Amino-4-ethylbenzoic acid methyl ester;CS-0214874;EN300-200657;G11151;A1-09872

Chemical Property of Methyl 3-amino-4-ethylbenzoate

Chemical Property:

• Melting Point: 53-54 °C(Solv: ethanol (64-17-5))
• Boiling Point: 317.8±30.0 °C(Predicted)
• PKA: 3.22±0.10(Predicted)
• PSA: 52.32000
• Density: 1.103±0.06 g/cm3(Predicted)
• LogP: 2.19900
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 179.094628657
• Heavy Atom Count: 13
• Complexity: 182

Purity/Quality:

99% ^*data from raw suppliers

Methyl 3-amino-4-ethylbenzoate 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=C(C=C(C=C1)C(=O)OC)N

Technology Process of Methyl 3-amino-4-ethylbenzoate

There total 6 articles about Methyl 3-amino-4-ethylbenzoate 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%

4-ethyl-3-nitro-benzoic acid methyl ester (51885-79-1) → 3-amino-4-ethylbenzoic acid methyl ester (24812-93-9)

Guidance literature:

With palladium on activated charcoal; hydrogen; In methanol; at 20 ℃;

Reference yield:

methyl 4-acetyl-3-nitrobenzoate (51885-81-5) → 3-amino-4-ethylbenzoic acid methyl ester (24812-93-9)

Guidance literature:

With hydrogenchloride; In methanol; water;

Reference yield:

4-Ethyl-3-nitrobenzoic acid (103440-95-5) → 3-amino-4-ethylbenzoic acid methyl ester (24812-93-9)

Guidance literature:

Multi-step reaction with 2 steps

1.1: acetyl chloride / 0.17 h / 20 °C

1.2: 6 h / Reflux

2.1: palladium 10% on activated carbon; ammonium formate / methanol / 1.5 h / Inert atmosphere; Reflux

With palladium 10% on activated carbon; ammonium formate; acetyl chloride; In methanol;

upstream raw materials:

4-ethyl-3-nitro-benzoic acid methyl ester

methyl 4-acetyl-3-nitrobenzoate

4-ethyl-3-nitro-benzaldehyde

4-Ethyl-3-nitrobenzoic acid

Downstream raw materials:

4-ethyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-(4-(pyridin-3-yl)thiazol-2-ylamino)benzamide

C₁₃H₁₆N₂O₃S

C₁₇H₁₈N₄O₂

6-(methoxycarbonyl)-3-methyl-1H-indazole

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