Ethyl 5-(4-Aminophenyl)-2-Methyl-3-Furoate

Base Information

• Chemical Name: Ethyl 5-(4-Aminophenyl)-2-Methyl-3-Furoate
• CAS No.: 175276-70-7
• Molecular Formula: C14H15 N O3
• Molecular Weight: 245.278
• Hs Code.: 2932190090
• DSSTox Substance ID: DTXSID20372458
• Wikidata: Q82160179
• Mol file: 175276-70-7.mol

Synonyms:Ethyl 5-(4-Aminophenyl)-2-Methyl-3-Furoate;175276-70-7;ethyl 5-(4-aminophenyl)-2-methylfuran-3-carboxylate;HMS565E07;ZINC00113368;Maybridge1_008367;SCHEMBL4704556;YSCK0775;DTXSID20372458;HOOXMKJYQNXIIY-UHFFFAOYSA-N;MFCD00276981;AKOS015908475;PS-4643;SB61208;SP 00082;CS-0320801;FT-0626106;ethyl5-(4-aminophenyl)-2-methylfuran-3-carboxylate;ethyl 5-(4-aminophenyl)-2-methyl-3-furanecarboxylate;3-Furancarboxylic acid,5-(4-aminophenyl)-2-methyl-,ethyl ester

Chemical Property of Ethyl 5-(4-Aminophenyl)-2-Methyl-3-Furoate

Chemical Property:

• Vapor Pressure: 8.69E-06mmHg at 25°C
• Boiling Point: 373.9°Cat760mmHg
• Flash Point: 179.9°C
• PSA: 65.46000
• Density: 1.165g/cm³
• LogP: 3.59510
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 245.10519334
• Heavy Atom Count: 18
• Complexity: 287

Purity/Quality:

98%Min ^*data from raw suppliers

Ethyl 5-(4-aminophenyl)-2-methyl-3-furoate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(OC(=C1)C2=CC=C(C=C2)N)C

Technology Process of Ethyl 5-(4-Aminophenyl)-2-Methyl-3-Furoate

There total 1 articles about Ethyl 5-(4-Aminophenyl)-2-Methyl-3-Furoate 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: 89.0%

ethyl 2-methyl-5-(4-nitrophenyl)furan-3-carboxylate (175276-69-4) → ethyl 5-(4-aminophenyl)-2-methyl-3-furanecarboxylate (175276-70-7)

Guidance literature:

With hydrogenchloride; iron; In ethanol; water; for 2h; Heating / reflux;

Reference yield: 95.0%

ethyl 5-(4-aminophenyl)-2-methyl-3-furanecarboxylate (175276-70-7) + 6-(tert-butoxycarbonylamino)hexanoic acid (6404-29-1) → 5-[4-(6-tert-butoxycarbonylamino-hexanoylamino)phenyl]-2-methyl-furan-3-carboxylic acid ethyl ester (1207974-40-0)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; HATU; In acetonitrile; for 20h; Inert atmosphere; Reflux;

DOI:10.1021/jm901755g

Reference yield: 88.0%

ethyl 5-(4-aminophenyl)-2-methyl-3-furanecarboxylate (175276-70-7) → 5-{4-[2-(2,4-Dimethoxy-phenyl)-acetylamino]-phenyl}-2-methyl-furan-3-carboxylic acid ethyl ester (929120-08-1)

Guidance literature:

2,4-dimethoxyphenylacetic acid; With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In dichloromethane; at 20 ℃; for 0.166667h;

ethyl 5-(4-aminophenyl)-2-methyl-3-furanecarboxylate; In dichloromethane; at 20 ℃;

With ammonium chloride; In dichloromethane; water;

upstream raw materials:

ethyl 2-methyl-5-(4-nitrophenyl)furan-3-carboxylate

Downstream raw materials:

ethyl 5-(4-hydroxyphenyl)-2-methyl-3-furanecarboxylate

5-{4-[2-(2,4-Dimethoxy-phenyl)-acetylamino]-phenyl}-2-methyl-furan-3-carboxylic acid ethyl ester

5-[4-(6-tert-butoxycarbonylamino-hexanoylamino)phenyl]-2-methyl-furan-3-carboxylic acid ethyl ester

Refernces