4,5-Dihydro-4,4-dimethyl-2-(2-thienyl)-oxazole

Base Information

• Chemical Name: 4,5-Dihydro-4,4-dimethyl-2-(2-thienyl)-oxazole
• CAS No.: 62521-42-0
• Molecular Formula: C9H11NOS
• Molecular Weight: 181.258
• DSSTox Substance ID: DTXSID50407484
• Nikkaji Number: J445.724B
• Mol file: 62521-42-0.mol

Synonyms:62521-42-0;4,5-dihydro-4,4-dimethyl-2-(2-thienyl)-oxazole;4,4-dimethyl-2-(2-thienyl)-4,5-dihydro-1,3-oxazole;4,4-dimethyl-2-thiophen-2-yl-5H-1,3-oxazole;4,4-dimethyl-2-(thiophen-2-yl)-4,5-dihydrooxazole;SCHEMBL3890295;DTXSID50407484;KLKPHMUQDGHCPL-UHFFFAOYSA-N;AKOS021610581;4,4-dimethyl-2-(2-thienyl)-2-oxazoline;4,4-dimethyl-2-thiophen-2-yl-5H-oxazole;4,5-dihydro-4,4-dimethyl-2-(2-thienyl)oxazole;4,4-Dimethyl-2-thiophen-2-yl-4,5-dihydro-oxazole;4,4-DIMETHYL-2-(THIOPHEN-2-YL)-4,5-DIHYDRO-1,3-OXAZOLE

Chemical Property of 4,5-Dihydro-4,4-dimethyl-2-(2-thienyl)-oxazole

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 181.05613515
• Heavy Atom Count: 12
• Complexity: 213

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1(COC(=N1)C2=CC=CS2)C

Technology Process of 4,5-Dihydro-4,4-dimethyl-2-(2-thienyl)-oxazole

There total 1 articles about 4,5-Dihydro-4,4-dimethyl-2-(2-thienyl)-oxazole 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: 93.0%

thiophene-2-carbonitrile (1003-31-2) + 2-Amino-2-methyl-1-propanol (124-68-5) → 4,4-dimethyl-2-(2-thienyl)oxazoline (62521-42-0)

Guidance literature:

With potassium carbonate; In ethylene glycol; glycerol; at 110 ℃; for 72h; Inert atmosphere;

DOI:10.1016/j.tetlet.2011.07.070

Reference yield: 97.0%

4,4-dimethyl-2-(2-thienyl)oxazoline (62521-42-0) → 2-thiophenylcarboxylic acid (527-72-0)

Guidance literature:

With potassium hydroxide; sodium hypochlorite; tetra-tert-butylammonium hydrogen sulfate; 1.) ethyl acetate, water, 20 deg C, 12 h; 2.) MeOH, water, 12 h, 20 deg C;

Reference yield: 92.1%

4,4-dimethyl-2-(2-thienyl)oxazoline (62521-42-0) + pentafluorophenyl(tetrahydrothiophene)gold(I) + trifluorormethanesulfonic acid (1493-13-6) → (C6F5)Au(C4H2SC3H2(CH3)2ONH)

Guidance literature:

With n-BuLi; In diethyl ether; hexane; N2-atmosphere; stirring (-80°C, 20 min, -10°C, 30 min), Au-complex addn. (-75°C), stirring (-80°C, 1 h, -60°C, 45 min), CF3SO3H addn., stirring (-60°C, 1 h); washing (Et2O), CH2Cl2 addn., filtering, concg., crystn. on Et2O addn. (-20°C); elem. anal.;

DOI:10.1021/om970007y

upstream raw materials:

thiophene-2-carbonitrile

2-Amino-2-methyl-1-propanol

Downstream raw materials:

2-<3-(α-Hydroxybenzyl)-2-thienyl>-4,4-dimethyl-2-oxazolin

[5-(4,4-dimethyl-4,5-dihydro-oxazol-2-yl)-thiophen-2-yl]-phenyl-methanol

4,4-dimethyl-2-(3-phenyl-2-thienyl)oxazoline

2-thiophenylcarboxylic acid