Ethyl 2-[[2-(4-ethylphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Base Information

• Chemical Name: Ethyl 2-[[2-(4-ethylphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
• CAS No.: 6387-30-0
• Molecular Formula: C8H12 N2
• Molecular Weight: 484.6092
• DSSTox Substance ID: DTXSID70411563
• Wikidata: Q82218338

Synonyms:ST50918733;DTXSID70411563;AKOS001614269;ethyl 2-[[2-(4-ethylphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;SR-01000447530;SR-01000447530-1;ETHYL 2-[2-(4-ETHYLPHENYL)QUINOLINE-4-AMIDO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE

Chemical Property of Ethyl 2-[[2-(4-ethylphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Chemical Property:

• Vapor Pressure: 4.68E-16mmHg at 25°C
• Boiling Point: 635.6°Cat760mmHg
• Flash Point: 338.2°C
• PSA: 100.02000
• Density: 1.26g/cm³
• LogP: 7.21750
• XLogP3: 7.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 484.18206393
• Heavy Atom Count: 35
• Complexity: 739

Purity/Quality:

99% ^*data from raw suppliers

2,N*1*-Dimethyl-benzene-1,4-diamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)OCC

Technology Process of Ethyl 2-[[2-(4-ethylphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

There total 5 articles about Ethyl 2-[[2-(4-ethylphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate 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:

2-methyl-4-nitro-benzenamine (99-52-5) → N-methyl-2-methyl-4-nitroaniline (10439-77-7) + N1,2-dimethyl-p-phenylenediamine (6387-30-0)

Guidance literature:

With paraformaldehyde; In conc. H₂ SO₄;

Reference yield:

2,N-dimethyl-4-nitroso-aniline (6370-27-0) → N1,2-dimethyl-p-phenylenediamine (6387-30-0)

Guidance literature:

With hydrogenchloride; zinc;

Reference yield:

carbonic acid dimethyl ester (616-38-6) + 2-methyl-p-phenylenediamine (95-70-5) → 3-methyl-4-amino-N-methyl aniline + N1,2-dimethyl-p-phenylenediamine (6387-30-0)

Guidance literature:

With zeolite NaY; for 6h; Heating;

DOI:10.1016/j.tetlet.2006.12.131

upstream raw materials:

2,N-dimethyl-4-nitroso-aniline

carbonic acid dimethyl ester

2-methyl-p-phenylenediamine

N-methyl-N-nitroso-o-toluidine

Downstream raw materials:

N-[3-Hydroxy-2,4-dimethyl-6-(3-methyl-4-methylamino-phenylamino)-phenyl]-acetamide

N-[5-Hydroxy-4-methyl-2-(3-methyl-4-methylamino-phenylamino)-phenyl]-acetamide

5-Amino-2-methyl-4-(3-methyl-4-methylamino-phenylamino)-phenol

N-{2,4-Dimethyl-6-[(E)-3-methyl-4-methylamino-phenylimino]-3-oxo-cyclohexa-1,4-dienyl}-acetamide

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