Diethyl 5-[[2-(4-chloro-2-methyl-phenoxy)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate

Base Information

• Chemical Name: Diethyl 5-[[2-(4-chloro-2-methyl-phenoxy)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate
• CAS No.: 6147-96-2
• Molecular Formula: C20H22ClNO6S
• Molecular Weight: 368.389
• DSSTox Substance ID: DTXSID50360843
• Wikidata: Q82142831

Synonyms:6147-96-2;DIETHYL 5-[[2-(4-CHLORO-2-METHYL-PHENOXY)ACETYL]AMINO]-3-METHYL-THIOPHENE-2,4-DICARBOXYLATE;CBMicro_031509;Oprea1_675613;Oprea1_720670;DTXSID50360843;STK730033;AKOS001652253;diethyl 5-{[(4-chloro-2-methylphenoxy)acetyl]amino}-3-methylthiophene-2,4-dicarboxylate;BIM-0031566.P001;SR-01000463344;SR-01000463344-1;Diethyl 5-[2-(4-chloro-2-methylphenoxy)acetamido]-3-methylthiophene-2,4-dicarboxylate;2,4-DIETHYL 5-[2-(4-CHLORO-2-METHYLPHENOXY)ACETAMIDO]-3-METHYLTHIOPHENE-2,4-DICARBOXYLATE

Chemical Property of Diethyl 5-[[2-(4-chloro-2-methyl-phenoxy)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate

Chemical Property:

• Vapor Pressure: 2.16E-14mmHg at 25°C
• Boiling Point: 600.8°Cat760mmHg
• Flash Point: 317.2°C
• Density: 1.318g/cm³
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 10
• Exact Mass: 439.0856363
• Heavy Atom Count: 29
• Complexity: 591

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)COC2=C(C=C(C=C2)Cl)C

Technology Process of Diethyl 5-[[2-(4-chloro-2-methyl-phenoxy)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate

There total 2 articles about Diethyl 5-[[2-(4-chloro-2-methyl-phenoxy)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate 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: 15.0%

1,2-naphthalenedicarboxylic anhydride (5343-99-7) + phenol (108-95-2,27073-41-2) → 1,1-bis-(4-hydroxy-phenyl)-1H-naphtho[1,2-c]furan-3-one (6147-96-2) + 3,3-bis-(4-hydroxy-phenyl)-3H-naphtho[1,2-c]furan-1-one (5768-91-2)

Guidance literature:

With tin(IV) chloride; Heating;

DOI:10.1021/jm051187d

Reference yield: 15.0%

1,2-naphthalenedicarboxylic anhydride (5343-99-7) + phenol (108-95-2,27073-41-2) → 1,1-bis-(4-hydroxy-phenyl)-1H-naphtho[1,2-c]furan-3-one (6147-96-2)

Guidance literature:

With tin(IV) chloride;

Reference yield: 71.2%

1,1-bis-(4-hydroxy-phenyl)-1H-naphtho[1,2-c]furan-3-one (6147-96-2) → 3,3-bis-(3-iodium-4-hydroxyphenyl)-3H-naphtho(1,2-c)furan-1-one

Guidance literature:

With Iodine monochloride; acetic acid; at 20 ℃;

DOI:10.1021/jm051187d

upstream raw materials:

1,2-naphthalenedicarboxylic anhydride

phenol

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