3-Butyn-2-ol, 2-methyl-4-(3-thienyl)-

Base Information

• Chemical Name: 3-Butyn-2-ol, 2-methyl-4-(3-thienyl)-
• CAS No.: 133844-85-6
• Molecular Formula: C9H10OS
• Molecular Weight: 166.244
• DSSTox Substance ID: DTXSID70465364
• Nikkaji Number: J735.200J
• Wikidata: Q82291232
• Mol file: 133844-85-6.mol

Synonyms:133844-85-6;2-methyl-4-(thiophen-3-yl)but-3-yn-2-ol;3-Butyn-2-ol, 2-methyl-4-(3-thienyl)-;DTXSID70465364;AKOS026732636;F8885-5750

Chemical Property of 3-Butyn-2-ol, 2-methyl-4-(3-thienyl)-

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 166.04523611
• Heavy Atom Count: 11
• Complexity: 196

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C#CC1=CSC=C1)O

Technology Process of 3-Butyn-2-ol, 2-methyl-4-(3-thienyl)-

There total 1 articles about 3-Butyn-2-ol, 2-methyl-4-(3-thienyl)- 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: 40.0%

3-Bromothiophene (872-31-1) + 2-methyl-but-3-yn-2-ol (115-19-5) → 2,7-dimethyl-octa-3,5-diyne-2,7-diol (5929-72-6) + 2-methyl-4-(thiophen-3-yl)but-3-yn-2-ol (133844-85-6)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; diethylamine; for 12h;

Reference yield: 81.0%

2-methyl-4-(thiophen-3-yl)but-3-yn-2-ol (133844-85-6) → 3-ethynylthiophene (67237-53-0)

Guidance literature:

With potassium hydroxide; In methanol; benzene; at 75 ℃; for 14h; Heating;

Reference yield: 67.0%

2-methyl-4-(thiophen-3-yl)but-3-yn-2-ol (133844-85-6) + 1-iodo-2-(2-phenylethynyl)benzene (109744-41-4) → 1,1-dimethyl-3-phenyl-8-(thiophen-3-yl)-1H-indeno[1,2-c]furan (1415694-19-7)

Guidance literature:

With palladium diacetate; magnesium sulfate; potassium carbonate; In N,N-dimethyl-formamide; at 110 ℃; for 12h; Inert atmosphere;

DOI:10.1021/jo302223y

upstream raw materials:

3-Bromothiophene

2-methyl-but-3-yn-2-ol

Downstream raw materials:

3-ethynylthiophene

C₂₃H₂₂O₂S

1,1-dimethyl-3-phenyl-8-(thiophen-3-yl)-1H-indeno[1,2-c]furan