4-Tert-butyl-2-methyl-4,5-dihydro-1,3-oxazole

Base Information

• Chemical Name: 4-Tert-butyl-2-methyl-4,5-dihydro-1,3-oxazole
• CAS No.: 137542-74-6
• Molecular Formula: C8H15NO
• Molecular Weight: 141.21
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID40590935
• Nikkaji Number: J1.640.672D
• Mol file: 137542-74-6.mol

Synonyms:4-tert-butyl-2-methyl-4,5-dihydro-1,3-oxazole;137542-74-6;SCHEMBL17244832;DTXSID40590935;(4R)-4-T-BUTYL-2-METHYL2-OXAZOLINE;(4R)-4-tert-butyl-2-methyl-4,5-dihydrooxazole

Chemical Property of 4-Tert-butyl-2-methyl-4,5-dihydro-1,3-oxazole

Chemical Property:

• PSA: 21.59000
• LogP: 1.28530
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 141.115364102
• Heavy Atom Count: 10
• Complexity: 155

Purity/Quality:

98% ^*data from raw suppliers

(4R)-4-TERT-BUTYL-2-METHYL-2-OXAZOLINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(CO1)C(C)(C)C

Technology Process of 4-Tert-butyl-2-methyl-4,5-dihydro-1,3-oxazole

There total 2 articles about 4-Tert-butyl-2-methyl-4,5-dihydro-1,3-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: 87.0%

Trimethyl orthoacetate (1445-45-0) + (S)-tert-leucinol (112245-13-3) → (S)-4-tert-butyl-2-methyl-Δ2-oxazoline (137542-74-6)

Guidance literature:

With acetic acid; In 1,2-dichloro-ethane; for 2h; Heating;

DOI:10.1021/jo971161x

Reference yield: 75.0%

ethyl acetimidate hydrochloride (2208-07-3) + (S)-tert-leucinol (112245-13-3) → (S)-4-tert-butyl-2-methyl-Δ2-oxazoline (137542-74-6)

Guidance literature:

In dichloromethane; at 20 ℃;

DOI:10.1248/cpb.50.372

Reference yield: 82.0%

(S)-4-tert-butyl-2-methyl-Δ2-oxazoline (137542-74-6) + (Z)-2,2,2-trifluoro-N-(4-methoxyphenyl)acetimidoyl chloride (75999-66-5) → (Z)-2-[(4S)-4-(tert-butyl)-4,5-dihydro-1,3-oxazol-2-yl]-1-trifluoromethyl-1-ethenyl(4-methoxyphenyl)amine

Guidance literature:

(S)-4-tert-butyl-2-methyl-Δ²-oxazoline; With lithium diisopropyl amide; In tetrahydrofuran; hexane; at -78 ℃; for 2h;

(Z)-2,2,2-trifluoro-N-(4-methoxyphenyl)acetimidoyl chloride; In tetrahydrofuran; hexane; at -78 ℃;

DOI:10.1016/S0040-4020(01)00539-7

upstream raw materials:

ethyl acetimidate hydrochloride

(S)-tert-leucinol

Trimethyl orthoacetate

Downstream raw materials:

(Rs,S)-4-tert-butyl-2-(p-toluenesulfinylmethyl)-1,3-oxazoline

(4S)-4-tert-butyl-2-((E)-2-phenylethenyl)-2-oxazoline

(4S)-4-tert-butyl-2-<(E)-2-(2-methoxyphenyl)ethenyl>-2-oxazoline

(S)-4-tert-Butyl-2-((R)-2-cyclohexyl-2-phenyl-ethyl)-4,5-dihydro-oxazole