5-(3-Thienyl)-2-furaldehyde

Base Information

• Chemical Name: 5-(3-Thienyl)-2-furaldehyde
• CAS No.: 886361-73-5
• Molecular Formula: C9H6O2S
• Molecular Weight: 178.211
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID20408286
• Wikidata: Q82213711
• Mol file: 886361-73-5.mol

Synonyms:5-(3-Thienyl)-2-furaldehyde;886361-73-5;5-(thiophen-3-yl)furan-2-carbaldehyde;5-thiophen-3-ylfuran-2-carbaldehyde;SCHEMBL13388081;DTXSID20408286;MFCD06740284;AKOS004117537;SB61656;5-(3-thienyl)-2-furaldehyde, AldrichCPR;CS-0268521;EN300-745534;4Z-0704;J-516419;F2167-0881

Chemical Property of 5-(3-Thienyl)-2-furaldehyde

Chemical Property:

• Melting Point: 57-59°
• PSA: 58.45000
• LogP: 2.82060
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 178.00885060
• Heavy Atom Count: 12
• Complexity: 172

Purity/Quality:

98%min ^*data from raw suppliers

5-(3-Thienyl)-2-furaldehyde >95% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CSC=C1C2=CC=C(O2)C=O
• Uses: 5-(3-Thienyl)-2-furaldehyde is used as a reactant in the preparation of aminopyrimidines as Pim, CK1 and CK2 inhibitors.

Technology Process of 5-(3-Thienyl)-2-furaldehyde

There total 3 articles about 5-(3-Thienyl)-2-furaldehyde 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: 66.7%

→ 5-(thiophen-3-yl)furan-2-carbaldehyde (886361-73-5)

Guidance literature:

Reference yield: 56.0%

5-bromo-2-furancarboxaldehyde (1899-24-7) + Thien-3-ylboronic acid (6165-69-1) → 5-(thiophen-3-yl)furan-2-carbaldehyde (886361-73-5)

Guidance literature:

With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; sodium carbonate; In ethanol; water; toluene; at 110 ℃; Schlenk technique; Inert atmosphere;

DOI:10.1016/j.ejmech.2019.111635

Reference yield:

5-iodofuran-2-carbaldehyde (2689-65-8) + Thien-3-ylboronic acid (6165-69-1) → 5-(thiophen-3-yl)furan-2-carbaldehyde (886361-73-5)

Guidance literature:

With sodium carbonate; In water; ethyl acetate; isopropyl alcohol; at 50 ℃; for 0.00138889h; Microchannel flow reactor;

DOI:10.1002/chem.201000511

upstream raw materials:

5-iodofuran-2-carbaldehyde

Thien-3-ylboronic acid

5-bromo-2-furancarboxaldehyde

Refernces

• 1、 -. "Aminopyrimidine Kinase Inhibitors". Page/Page column 81. . Retrieved 2012/11/07.