(4R,5S)-4,5-Dihydro-4-methyl-5-phenyloxazole

Base Information

• Chemical Name: (4R,5S)-4,5-Dihydro-4-methyl-5-phenyloxazole
• CAS No.: 136846-24-7
• Molecular Formula: C10H11NO
• Molecular Weight: 161.203
• DSSTox Substance ID: DTXSID401258375

Synonyms:(4R,5S)-4,5-Dihydro-4-methyl-5-phenyloxazole;136846-24-7;DTXSID401258375

Chemical Property of (4R,5S)-4,5-Dihydro-4-methyl-5-phenyloxazole

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 161.084063974
• Heavy Atom Count: 12
• Complexity: 173

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1C(OC=N1)C2=CC=CC=C2
• Isomeric SMILES: C[C@@H]1[C@@H](OC=N1)C2=CC=CC=C2

Technology Process of (4R,5S)-4,5-Dihydro-4-methyl-5-phenyloxazole

There total 3 articles about (4R,5S)-4,5-Dihydro-4-methyl-5-phenyloxazole 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:

(1S,2R)-(+)-norphedrine (37577-28-9,58550-13-3,757124-50-8) + N,N-dimethyl-formamide dimethyl acetal (4637-24-5) → (4R,5S)-4-methyl-5-phenyl-2-oxazoline (136846-24-7)

Guidance literature:

With benzenesulfonic acid; In benzene; for 70h; Heating;

DOI:10.1021/jo00096a048

Reference yield:

(1S,2R)-(+)-norphedrine (37577-28-9,58550-13-3,757124-50-8) → (4R,5S)-4-methyl-5-phenyl-2-oxazoline (136846-24-7)

Guidance literature:

Multi-step reaction with 2 steps

2: 0.05 Torr / Heating

DOI:10.1002/recl.19941130704

Reference yield:

N'-((1R,2S)-2-Hydroxy-1-methyl-2-phenyl-ethyl)-N,N-dimethyl-formamidine → (4R,5S)-4-methyl-5-phenyl-2-oxazoline (136846-24-7)

Guidance literature:

under 0.05 Torr; Yield given; Heating;

DOI:10.1002/recl.19941130704

upstream raw materials:

(1S,2R)-(+)-norphedrine

N,N-dimethyl-formamide dimethyl acetal

Downstream raw materials:

(4R,5S)-(+)-4-Methyl-5-phenyloxazolidine-2-selone

(4R,5S)-3-(1-Oxo-2-phenylpropyl)-4-methyl-5-phenyloxazolidine-2-selone

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