N-[3-({[(3-propoxyphenyl)carbonyl]carbamothioyl}amino)phenyl]furan-2-carboxamide

Base Information

• Chemical Name: N-[3-({[(3-propoxyphenyl)carbonyl]carbamothioyl}amino)phenyl]furan-2-carboxamide
• CAS No.: 6448-14-2
• Molecular Formula: C13H16 O2
• Molecular Weight: 204.269
• DSSTox Substance ID: DTXSID60367742
• Wikidata: Q82153786
• Mol file: 6448-14-2.mol

Synonyms:STK051987;N-[3-({[(3-propoxyphenyl)carbonyl]carbamothioyl}amino)phenyl]furan-2-carboxamide;Oprea1_437016;DTXSID60367742;AKOS003219921;AB00108036-01

Chemical Property of N-[3-({[(3-propoxyphenyl)carbonyl]carbamothioyl}amino)phenyl]furan-2-carboxamide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.334g/cm³
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 423.12527733
• Heavy Atom Count: 30
• Complexity: 603

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CO3

Technology Process of N-[3-({[(3-propoxyphenyl)carbonyl]carbamothioyl}amino)phenyl]furan-2-carboxamide

There total 9 articles about N-[3-({[(3-propoxyphenyl)carbonyl]carbamothioyl}amino)phenyl]furan-2-carboxamide 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: 99.0%

monohydrated p-toluenesulphonic acid + 2-(4-isobutyl-phenyl)-2-hydroxy-propionic acid (60057-62-7) → 2-(4-isobutylphenyl)acrylic acid (6448-14-2)

Guidance literature:

In benzene;

Reference yield: 81.0%

carbon dioxide (124-38-9,18923-20-1) + 4'-isobutyl phenylacetylene (132464-91-6) → 2-(4-isobutylphenyl)acrylic acid (6448-14-2)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; phenylsilane; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; triethylamine; In N,N-dimethyl-formamide; at 80 ℃; for 12h; under 15001.5 Torr; regioselective reaction;

DOI:10.1021/acscatal.0c01687

Reference yield:

ethyl 2-(4-isobutylphenyl)propenoate (6448-12-0) → 2-(4-isobutylphenyl)acrylic acid (6448-14-2)

Guidance literature:

ethyl 2-(4-isobutylphenyl)propenoate; With lithium hydroxide monohydrate; In tetrahydrofuran; water; at 20 ℃; for 72h;

With hydrogenchloride; In tetrahydrofuran; water; pH=1;

DOI:10.1021/ol202808n

upstream raw materials:

2-propionic acid

ibuprofen

2-(4-isobutyl-phenyl)-2-hydroxy-propionic acid

ethyl 2-(4-isobutylphenyl)propenoate

Downstream raw materials:

(S)-ibuprofen

(R)-ibuprofene

ibuprofen

3-(2-(4-isobutylphenyl)acryloyl)oxazolidin-2-one