(S)-2-(4-tert-butyl-4,5-dihydrooxazol-2-yl)propan-2-ol

Base Information

• Chemical Name: (S)-2-(4-tert-butyl-4,5-dihydrooxazol-2-yl)propan-2-ol
• CAS No.: 204333-19-7
• Molecular Formula: C10H19NO2
• Molecular Weight: 185.26336
• Hs Code.: 2934999090
• Mol file: 204333-19-7.mol

Synonyms:(S)-2-(4-tert-butyl-4,5-dihydrooxazol-2-yl)propan-2-ol;(4S)-4-(1,1-Dimethylethyl)-4,5-dihydro-alpha,alpha-dimethyl-2-oxazolemethanol

Chemical Property of (S)-2-(4-tert-butyl-4,5-dihydrooxazol-2-yl)propan-2-ol

Chemical Property:

• Melting Point: 86-87℃ (hexane )
• Boiling Point: 241.4±23.0℃ (760 Torr)
• PKA: 14.13±0.29(Predicted)
• Flash Point: 99.8±22.6℃
• PSA: 41.82000
• Density: 1.02±0.1 g/cm3 (20 oC 760 Torr)
• LogP: 1.03630

Purity/Quality:

97% ^*data from raw suppliers

(S)-2-(4-(tert-Butyl)-4,5-dihydrooxazol-2-yl)propan-2-ol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of (S)-2-(4-tert-butyl-4,5-dihydrooxazol-2-yl)propan-2-ol

There total 3 articles about (S)-2-(4-tert-butyl-4,5-dihydrooxazol-2-yl)propan-2-ol 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: 60.0%

methylmagnesium chloride (676-58-4) + ethyl (4S)-4-(1,1-dimethylethyl)-4,5-dihydrooxazole-2-carboxylate (405940-78-5) → (-)-(S)-2-[1'-Hydroxy-1'-methylethyl]-4-tert-butyloxazoline (204333-19-7)

Guidance literature:

In tetrahydrofuran; diethyl ether; at 20 ℃; for 16h;

DOI:10.1016/j.tetasy.2005.01.038

Reference yield:

(S)-tert-leucinol (112245-13-3) → (-)-(S)-2-[1'-Hydroxy-1'-methylethyl]-4-tert-butyloxazoline (204333-19-7)

Guidance literature:

Multi-step reaction with 2 steps

1.1: Et₃OBF₄ / 1,2-dichloro-ethane / 24 h / 20 °C

1.2: 36 percent / 1,2-dichloro-ethane / 24 h / Heating

2.1: 60 percent / tetrahydrofuran; diethyl ether / 16 h / 20 °C

With triethyloxonium fluoroborate; In tetrahydrofuran; diethyl ether; 1,2-dichloro-ethane; 2.1: Grignard reaction;

DOI:10.1016/j.tetasy.2005.01.038

Reference yield:

2-methyllactic acid (594-61-6) + (S)-tert-leucinol (112245-13-3) → (-)-(S)-2-[1'-Hydroxy-1'-methylethyl]-4-tert-butyloxazoline (204333-19-7)

Guidance literature:

Heating;

DOI:10.1002/adsc.200390027

upstream raw materials:

2-methyllactic acid

(S)-tert-leucinol

methylmagnesium chloride

ethyl (4S)-4-(1,1-dimethylethyl)-4,5-dihydrooxazole-2-carboxylate