2-[(2-Iodobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid

Base Information

• Chemical Name: 2-[(2-Iodobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
• CAS No.: 5899-19-4
• Molecular Formula: C14H12INO3S
• Molecular Weight: 190.285
• DSSTox Substance ID: DTXSID60361149
• Wikidata: Q82143319

Synonyms:2-[(2-iodobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid;2-[(2-iodobenzoyl)amino]-4,5-dimethyl-thiophene-3-carboxylic acid;Cambridge id 5899194;DTXSID60361149;AMY41796;STK744772;AKOS002434262;AB00100396-01;A934896;SR-01000222882;SR-01000222882-1;2-[(2-iodobenzoyl)amino]-4,5-dimethyl-3-thiophenecarboxylic acid;2-{[(2-iodophenyl)carbonyl]amino}-4,5-dimethylthiophene-3-carboxylic acid;342594-96-1

Chemical Property of 2-[(2-Iodobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid

Chemical Property:

• Vapor Pressure: 2.7E-08mmHg at 25°C
• Boiling Point: 433.8°Cat760mmHg
• Flash Point: 216.2°C
• Density: 1.783g/cm³
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 400.95826
• Heavy Atom Count: 20
• Complexity: 393

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(SC(=C1C(=O)O)NC(=O)C2=CC=CC=C2I)C

Technology Process of 2-[(2-Iodobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid

There total 15 articles about 2-[(2-Iodobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic 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: 95.0%

1-(cyclohexylmethyl)-2-methoxybenzene (92300-32-8) → o-(α-cyclohexylmethyl)phenol (5899-19-4)

Guidance literature:

With boron tribromide; In dichloromethane; at 20 ℃;

DOI:10.1016/j.bmc.2013.10.051

Reference yield: 70.0%

cyclohexyl(2-hydroxyphenyl)methanone (18066-52-9) → o-(α-cyclohexylmethyl)phenol (5899-19-4)

Guidance literature:

With hydrogenchloride; mercury dichloride; zinc; In toluene; for 3h; Heating;

DOI:10.1021/jo00064a016

Reference yield: 65.0%

bis(2-oxocyclohexyl)methane (3137-39-1) → xanthene (92-83-1) + o-(α-cyclohexylmethyl)phenol (5899-19-4)

Guidance literature:

platinum on activated charcoal; at 340 - 360 ℃;

DOI:10.1007/s10593-006-0004-7

upstream raw materials:

2-<2-Hydroxy-benzyl>-1-semicarbazono-cyclohexan

cyclohexyl(2-hydroxyphenyl)methanone

1-(cyclohexylmethyl)-2-methoxybenzene

cyclohexanecarbaldehyde

Downstream raw materials:

1-bromo-4-(cyclohexylmethoxy)benzene

ethyl 2-(1,1'-biphenyl-3,3'-di(cyclohexylmethyl)-4'-ol-4-oxy) acetate

ethyl 2-(1,1'-biphenyl-3'-cyclohexylmethyl-4'-ol-4-oxy) acetate

ethyl 2-(1,1'-biphenyl-3-cyclohexylmethyl-4'-ol-4-oxy) acetate

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