(3R-CIS)-(-)-2,3-DIHYDRO-3-ISOPROPYL-7A-METHYLPYRROLO-[2,1-B!OXAZOL-5(7AH)-ONE, 97

Base Information

• Chemical Name: (3R-CIS)-(-)-2,3-DIHYDRO-3-ISOPROPYL-7A-METHYLPYRROLO-[2,1-B!OXAZOL-5(7AH)-ONE, 97
• CAS No.: 222629-69-8
• Molecular Formula: C₁₀H₁₅NO₂
• Molecular Weight: 181.235
• Mol file: 222629-69-8.mol

Synonyms:(3R-cis)-(-)-2,3-Dihydro-3-isopropyl-7a-methylpyrrolo[2,1-b]oxazol-5(7aH)-one

Chemical Property of (3R-CIS)-(-)-2,3-DIHYDRO-3-ISOPROPYL-7A-METHYLPYRROLO-[2,1-B!OXAZOL-5(7AH)-ONE, 97

Chemical Property:

• Vapor Pressure: 0.000435mmHg at 25°C
• Melting Point: 46-50oC
• Boiling Point: 80-83°C/0.8mmHg
• Flash Point: 144.6°C
• PSA: 29.54000
• Density: 1.12g/cm³
• LogP: 1.09370
• Storage Temp.: Refrigerator (+4°C)

Purity/Quality:

99% ^*data from raw suppliers

(3R-CIS)-(-)-2,3-DIHYDRO-3-ISOPROPYL-7A-METHYLPYRROLO[2,1-B]OXAZOL-5(7AH)-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of (3R-CIS)-(-)-2,3-DIHYDRO-3-ISOPROPYL-7A-METHYLPYRROLO-[2,1-B!OXAZOL-5(7AH)-ONE, 97

There total 11 articles about (3R-CIS)-(-)-2,3-DIHYDRO-3-ISOPROPYL-7A-METHYLPYRROLO-[2,1-B!OXAZOL-5(7AH)-ONE, 97 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: 68.0%

(3S,7aR)-3-isopropyl-7a-methyltetrahydropyrrolo[2,1-b][1,3]-oxazol-5-one (98203-44-2) → (3S,7aR)-3-isopropyl-7a-methyl-2,3-dihydropyrrolo[2,1-b][1,3]oxazol-5(7aH)-one (116910-11-3,222629-69-8,302911-94-0)

Guidance literature:

(3S,7aR)-3-isopropyl-7a-methyltetrahydropyrrolo[2,1-b][1,3]-oxazol-5-one; With n-butyllithium; lithium diisopropyl amide; In tetrahydrofuran; hexane; at -78 ℃; for 2h; Inert atmosphere;

With Phenylselenyl bromide; In tetrahydrofuran; hexane; at -78 - 20 ℃; Inert atmosphere;

With pyridine; dihydrogen peroxide; In dichloromethane; at 0 ℃; for 3h; enantioselective reaction; Inert atmosphere;

DOI:10.1002/ejoc.201700882

Reference yield: 66.0%

(3R,7aS)-3-isopropyl-7a-methyltetrahydropyrrolo[2,1-b]oxazol-5(6H)-one (123808-97-9) → (3R,7aS)-3-isopropyl-7a-methyl-2,3-dihydropyrrolo[2,1-b]-oxazol-5(7aH)-one (222629-69-8,302911-94-0)

Guidance literature:

(3R,7aS)-3-isopropyl-7a-methyltetrahydropyrrolo[2,1-b]oxazol-5(6H)-one; With n-butyllithium; lithium diisopropyl amide; In tetrahydrofuran; hexane; at -78 ℃; for 2h; Inert atmosphere;

With Phenylselenyl bromide; In tetrahydrofuran; hexane; at -78 - 20 ℃; Inert atmosphere;

With pyridine; dihydrogen peroxide; In dichloromethane; at 0 ℃; for 3h; enantioselective reaction; Inert atmosphere;

DOI:10.1002/ejoc.201700882

Reference yield: 54.0%

(2R)-2-(2-methylpyrrol-1-yl)-3-methyl-1-butanol (189231-43-4) → (3R)-3-isopropyl-7a-methyl-2,3-dihydropyrrolo[2,1-b][1,3]oxazol-5(7aH)-one (222629-69-8,302911-94-0)

Guidance literature:

With oxygen; thiamine diphosphate; In dichloromethane; for 0.833333h; Irradiation;

DOI:10.1016/j.tetasy.2003.11.011

upstream raw materials:

(3S,7aR)-3-isopropyl-7a-methyltetrahydropyrrolo[2,1-b][1,3]-oxazol-5-one

(-)-(2S)-3-Methyl-2-(2-methyl-1H-pyrrol-1-yl)butan-1-ol

(S)-valinol

levulinic acid