2-Thienyl(3-thienyl)methanone

Base Information

• Chemical Name: 2-Thienyl(3-thienyl)methanone
• CAS No.: 26453-84-9
• Molecular Formula: C9H6 O S2
• Molecular Weight: 194.278
• NSC Number: 66005
• DSSTox Substance ID: DTXSID60289990
• Nikkaji Number: J260.212A
• Wikidata: Q82027553
• ChEMBL ID: CHEMBL4161094
• Mol file: 26453-84-9.mol

Synonyms:2-Thienyl(3-thienyl)methanone;26453-84-9;thiophen-2-yl(thiophen-3-yl)methanone;Methanone, 2-thienyl-3-thienyl-;NSC66005;starbld0046586;2-Thienyl 3-thienyl ketone;CHEMBL4161094;DTXSID60289990;2-Thienyl(3-thienyl)methanone #;NSC 66005;NSC-66005;AKOS009499841;(thiophen-2-yl)(thiophen-3-yl)methanone;F8882-1597

Chemical Property of 2-Thienyl(3-thienyl)methanone

Chemical Property:

• Vapor Pressure: 0.000369mmHg at 25°C
• Boiling Point: 318.1°Cat760mmHg
• Flash Point: 146.2°C
• Density: 1.326g/cm³
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 193.98600716
• Heavy Atom Count: 12
• Complexity: 181

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CSC(=C1)C(=O)C2=CSC=C2

Technology Process of 2-Thienyl(3-thienyl)methanone

There total 6 articles about 2-Thienyl(3-thienyl)methanone 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: 96.0%

thiophene (188290-36-0,8014-23-1,25233-34-5) + 3-thiophene carboxylic acid chloride (41507-35-1) → thiophen-2-yl-thiophen-3-yl-methanone (26453-84-9)

Guidance literature:

With tin(IV) chloride; In dichloromethane; 10 deg C - room temp.;

Reference yield: 80.0%

2-Iodothiophene (3437-95-4,149762-92-5) + Thien-3-ylboronic acid (6165-69-1) + carbon monoxide (201230-82-2) → thiophen-2-yl-thiophen-3-yl-methanone (26453-84-9)

Guidance literature:

With Bedford’s palladacycle; potassium carbonate; methoxybenzene; at 120 ℃; for 12h; under 3750.38 Torr; Autoclave;

DOI:10.1021/acs.joc.5b01160

Reference yield: 60.0%

3-Bromothiophene (872-31-1) + thiophen-2-yl(trimethylsilyl)methanone (88372-95-6) → thiophene-2-carbaldehyde (98-03-3) + thiophen-2-yl-thiophen-3-yl-methanone (26453-84-9)

Guidance literature:

With potassium phosphate; PdCl(NH₂C₆H₄C₆H₄)(C₆H₄(CH₃)4O₃PC₆H₅); water; In 2-methyltetrahydrofuran; at 60 ℃; for 20h; Inert atmosphere;

DOI:10.1021/ja2064318

upstream raw materials:

thiophene

3-thiophene carboxylic acid chloride

2-Iodothiophene

Thien-3-ylboronic acid

Downstream raw materials:

2,3'-Dithienylmethan