Dolasteron

Base Information

• Chemical Name: Dolasteron
• CAS No.: 40828-46-4
• Molecular Formula: C14H12O3S
• Molecular Weight: 260.313
• Hs Code.: 2934990002
• European Community (EC) Number: 255-096-9
• NSC Number: 757876,303611
• UNII: 988GU2F9PE
• DSSTox Substance ID: DTXSID5045469
• Nikkaji Number: J16.410K
• Wikipedia: Suprofen
• Wikidata: Q3978097
• NCI Thesaurus Code: C66576
• Pharos Ligand ID: S1A6FFQNLXHB
• Metabolomics Workbench ID: 43146
• ChEMBL ID: CHEMBL956
• Mol file: 40828-46-4.mol

Synonyms:(?à)-Suprofen;2-[4-(Thiophene-2-carbonyl)phenyl]propanoic acid;Masterfen;NSC 303611;Profenal;Profenol;R 25061;Racemic suprofen;Srendam;Sulproltin;Supranol;Suprocil;Suprol;Sutoprofen;TN 762;p-(2-Thenoyl)hydratropic acid;

Chemical Property of Dolasteron

Chemical Property:

• Vapor Pressure: 1.3E-08mmHg at 25°C
• Melting Point: 278 °C
• Refractive Index: 1.612
• Boiling Point: 442.598 °C at 760 mmHg
• PKA: 3.91(at 25℃)
• Flash Point: 221.475 °C
• PSA: 82.61000
• Density: 1.29 g/cm³
• LogP: 3.16720
• Storage Temp.: -20°C Freezer
• Water Solubility.: soluble
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 260.05071541
• Heavy Atom Count: 18
• Complexity: 321

Purity/Quality:

99% ^*data from raw suppliers

Suprofen ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC=C(C=C1)C(=O)C2=CC=CS2)C(=O)O
• Description: Suprofen is an arylpropionic acid analgesic/antiinflammatory agent with close structural resemblance to ketoprofen. It is more potent in many assays than indomethacin and ketoprofen and appears better tolerated.
• Uses: Prostaglandin biosynthesis inhibitor. Analgesic

Technology Process of Dolasteron

There total 18 articles about Dolasteron 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: 80.0%

carbon monoxide (201230-82-2) + (thiophen-3-yl)(4-vinylphenyl)methanone (79204-44-7) → 2-[4-(thien-2-ylcarbonyl)phenyl]propanoic acid (40828-46-4)

Guidance literature:

With palladium diacetate; catacxium A; In 1,4-dioxane; at 100 ℃; for 20h;

DOI:10.1002/anie.201308785

Reference yield: 51.0%

→ 2-[4-(thien-2-ylcarbonyl)phenyl]propanoic acid (40828-46-4)

Guidance literature:

Reference yield: 50.0%

oxalic acid (144-62-7,97993-78-7) + (thiophen-3-yl)(4-vinylphenyl)methanone (79204-44-7) → 2-[4-(thien-2-ylcarbonyl)phenyl]propanoic acid (40828-46-4)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; carbon monoxide;

DOI:10.1002/chem.200800001

upstream raw materials:

1-<4-(2-Thienylcarbonyl)phenyl>-1-propanone

trimethyl orthoformate

4-(thien-2-ylcarbonyl)phenylacetic acid

methyl iodide

Downstream raw materials:

2-(dimethylamino)ethyl p-(2-thenoyl)hydratropate oxalate

ethyl p-(2-thenoyl)hydratropate

p-(2-thenoyl)hydratropic acid, sodium salt

2-(diethylamino)ethyl p-(2-thenoyl)hydratropate hydrochloride

Refernces

• 1、 Maji, Arun,Rana, Sujoy,Akanksha,Maiti, Debabrata. "Synthesis of bis(heteroaryl) ketones by removal of benzylic CHR and CO groups". supporting information. p. 2428 - 2432. Retrieved 2014/03/21.
• 2、 Neumann, Helfried,Brennfuehrer, Anne,Beller, Matthias. "An efficient and practical sequential one-pot synthesis of suprofen, ketoprofen and other 2-arylpropionic acids". experimental part. p. 2437 - 2442. Retrieved 2009/10/06.