(3S-CIS)-7A-METHYL-3-PHENYLTETRAHYDROPYRROLO[2,1-B]OXAZOL-5(6H)-ONE

Base Information

• Chemical Name: (3S-CIS)-7A-METHYL-3-PHENYLTETRAHYDROPYRROLO[2,1-B]OXAZOL-5(6H)-ONE
• CAS No.: 153745-22-3
• Molecular Formula: C₁₃H₁₅NO₂
• Molecular Weight: 217.268
• Hs Code.: 29349990
• Mol file: 153745-22-3.mol

Synonyms:Pyrrolo[2,1-b]oxazol-5(6H)-one,tetrahydro-7a-methyl-3-phenyl-,(3S-cis)-

Chemical Property of (3S-CIS)-7A-METHYL-3-PHENYLTETRAHYDROPYRROLO[2,1-B]OXAZOL-5(6H)-ONE

Chemical Property:

• Vapor Pressure: 8.31E-06mmHg at 25°C
• Melting Point: 125 °C
• Refractive Index: 1.5300 (estimate)
• Boiling Point: 374.5°Cat760mmHg
• PKA: -1.48±0.60(Predicted)
• Flash Point: 180.3°C
• PSA: 29.54000
• Density: 1.21g/cm³
• LogP: 2.03440

Purity/Quality:

99% ^*data from raw suppliers

(3S-CIS)-7A-METHYL-3-PHENYLTETRAHYDROPYRROLO[2,1-B]OXAZOL-5(6H)-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 20/21/22
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of (3S-CIS)-7A-METHYL-3-PHENYLTETRAHYDROPYRROLO[2,1-B]OXAZOL-5(6H)-ONE

There total 9 articles about (3S-CIS)-7A-METHYL-3-PHENYLTETRAHYDROPYRROLO[2,1-B]OXAZOL-5(6H)-ONE 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: 94.0%

D-2-phenylglycinol (56613-80-0) + levulinic acid (123-76-2) → trans-(3R,7aS)-7a-methyl-3-phenyl-tetrahydro-pyrrolo[2,1-b]oxazol-5-one (137869-70-6,153745-22-3)

Guidance literature:

at 110 ℃; under 11251.1 Torr; optical yield given as %de; Microwave irradiation;

DOI:10.1039/b924111f

Reference yield: 85.0%

1-methyl-2-(4-oxo-pentanoyloxy)-pyridinium; iodide + D-2-phenylglycinol (56613-80-0) → trans-(3R,7aS)-7a-methyl-3-phenyl-tetrahydro-pyrrolo[2,1-b]oxazol-5-one (137869-70-6,153745-22-3)

Guidance literature:

In dichloromethane; for 72h; Heating;

DOI:10.1016/j.tetlet.2005.09.154

Reference yield: 82.0%

(2S)-2-phenylglycinol (20989-17-7) + levulinic acid (123-76-2) → (3S,7aR)-7a-Methyl-3-phenyl-tetrahydro-pyrrolo[2,1-b]oxazol-5-one (137869-70-6,153745-22-3)

Guidance literature:

In toluene; Heating;

DOI:10.1021/jo9600870

upstream raw materials:

4-methyl-4-pentenoic acid

D-2-phenylglycinol

4-oxo-pentanethioic acid S-phenyl ester

levulinic acid

Downstream raw materials:

(3S,7aR)-7a-Methyl-3-phenyl-2,3-dihydro-7aH-pyrrolo[2,1-b]oxazol-5-one

(3S,7aR)-6-Bromo-7a-methyl-3-phenyl-2,3-dihydro-7aH-pyrrolo[2,1-b]oxazol-5-one

(3S,7aR)-7a-Methyl-5-oxo-3,7-diphenyl-hexahydro-pyrrolo[2,1-b]oxazole-6-carboxylic acid benzyl ester

(3S,7aR)-7-Butyl-7a-methyl-5-oxo-3-phenyl-hexahydro-pyrrolo[2,1-b]oxazole-6-carboxylic acid benzyl ester

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