(3S,5S)-3-Isopropyl-5-((2S,4S)-4-isopropyl-5-oxotetrahydrofuran-2-yl)pyrrolidin-2-one

Base Information

• Chemical Name: (3S,5S)-3-Isopropyl-5-((2S,4S)-4-isopropyl-5-oxotetrahydrofuran-2-yl)pyrrolidin-2-one
• CAS No.: 934841-30-2
• Molecular Formula: C14H23NO3
• Molecular Weight: 253.342
• European Community (EC) Number: 618-952-6
• DSSTox Substance ID: DTXSID80586579
• Mol file: 934841-30-2.mol

Synonyms:934841-30-2;(3S,5S)-3-Isopropyl-5-((2S,4S)-4-isopropyl-5-oxotetrahydrofuran-2-yl)pyrrolidin-2-one;(3S,5S)-5-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]-3-propan-2-ylpyrrolidin-2-one;SCHEMBL6870567;DTXSID80586579;AKOS016005293;2-Pyrrolidinone, 3-(1-methylethyl)-5-[(2S,4S)-tetrahydro-4-(1-methylethyl)-5-oxo-2-furanyl]-, (3S,5S)-

Chemical Property of (3S,5S)-3-Isopropyl-5-((2S,4S)-4-isopropyl-5-oxotetrahydrofuran-2-yl)pyrrolidin-2-one

Chemical Property:

• PSA: 58.89000
• LogP: 2.01070
• Storage Temp.: 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 253.16779360
• Heavy Atom Count: 18
• Complexity: 351

Purity/Quality:

97%+ ^*data from raw suppliers

(3S,5S)-3-Isopropyl-5-((2S,4S)-4-isopropyl-5-oxotetrahydrofuran-2-yl)pyrrolidin-2-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1CC(NC1=O)C2CC(C(=O)O2)C(C)C
• Isomeric SMILES: CC(C)[C@@H]1C[C@H](NC1=O)[C@@H]2C[C@H](C(=O)O2)C(C)C

Technology Process of (3S,5S)-3-Isopropyl-5-((2S,4S)-4-isopropyl-5-oxotetrahydrofuran-2-yl)pyrrolidin-2-one

There total 5 articles about (3S,5S)-3-Isopropyl-5-((2S,4S)-4-isopropyl-5-oxotetrahydrofuran-2-yl)pyrrolidin-2-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:

(S)-3-((2S,4S)-4-azido-2-isopropyl-4-((2S,4S)-4-isopropyl-5-oxotetrahydrofuran-2-yl)butanoyl)-4-benzyloxazolidin-2-one (173154-01-3) → (3S,5S)-3-isopropyl-5-((2S,4S)-4-isopropyl-5-oxo-tetrahydro-furan-2-yl)pyrrolidin-2-one (934841-30-2) + (S)-4-Benzyl-2-oxazolidinone (90719-32-7)

Guidance literature:

With hydrogen; 5% palladium over charcoal; In toluene; at 20 ℃; for 24h;

Reference yield:

(S)-4-benzyl-3-(3-methylbutanoyl)oxazolidin-2-one (145589-03-3,104266-90-2) → (3S,5S)-3-isopropyl-5-((2S,4S)-4-isopropyl-5-oxo-tetrahydro-furan-2-yl)pyrrolidin-2-one (934841-30-2) + (S)-4-Benzyl-2-oxazolidinone (90719-32-7)

Guidance literature:

Multi-step reaction with 5 steps

1.1: lithium hexamethyldisilazane / tetrahydrofuran / 1 h / -50 °C / Inert atmosphere; Large scale

1.2: 2 h / -50 °C / Inert atmosphere; Large scale

1.3: 3.5 h / -50 - 10 °C / Inert atmosphere; Large scale

2.1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 1.5 h / 0 °C / Large scale

3.1: lithium bromide; magnesium(II) perchlorate / tetrahydrofuran / 4 h / 80 °C / Inert atmosphere

4.1: Aliquat 336; sodium azide / N,N-dimethyl-formamide / 24 h / 75 °C / Inert atmosphere; Large scale

5.1: 5%-palladium/activated carbon; hydrogen / toluene / 24 h / 20 °C / 15001.5 Torr / Autoclave; Large scale

5.2: 1 h / 0 °C / Large scale

With sodium azide; magnesium(II) perchlorate; 5%-palladium/activated carbon; hydrogen; Aliquat 336; 3-chloro-benzenecarboperoxoic acid; lithium bromide; lithium hexamethyldisilazane; In tetrahydrofuran; dichloromethane; N,N-dimethyl-formamide; toluene;

DOI:10.1021/acs.oprd.5b00009

Reference yield:

(2S,4E,7S)-2,7-bis(1-methylethyl)-1,8-bis[(4S)-2-oxo-4-(phenylmethyl)oxazolidin-3-yl]oct-4-ene-1,8-dione → (3S,5S)-3-isopropyl-5-((2S,4S)-4-isopropyl-5-oxo-tetrahydro-furan-2-yl)pyrrolidin-2-one (934841-30-2) + (S)-4-Benzyl-2-oxazolidinone (90719-32-7)

Guidance literature:

Multi-step reaction with 4 steps

1.1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 1.5 h / 0 °C / Large scale

2.1: lithium bromide; magnesium(II) perchlorate / tetrahydrofuran / 4 h / 80 °C / Inert atmosphere

3.1: Aliquat 336; sodium azide / N,N-dimethyl-formamide / 24 h / 75 °C / Inert atmosphere; Large scale

4.1: 5%-palladium/activated carbon; hydrogen / toluene / 24 h / 20 °C / 15001.5 Torr / Autoclave; Large scale

4.2: 1 h / 0 °C / Large scale

With sodium azide; magnesium(II) perchlorate; 5%-palladium/activated carbon; hydrogen; Aliquat 336; 3-chloro-benzenecarboperoxoic acid; lithium bromide; In tetrahydrofuran; dichloromethane; N,N-dimethyl-formamide; toluene;

DOI:10.1021/acs.oprd.5b00009

upstream raw materials:

(S)-3-((2S,4S)-4-azido-2-isopropyl-4-((2S,4S)-4-isopropyl-5-oxotetrahydrofuran-2-yl)butanoyl)-4-benzyloxazolidin-2-one

(S)-4-benzyl-3-(3-methylbutanoyl)oxazolidin-2-one

(S)-4-benzyl-3-((2S,4R)-4-bromo-2-isopropyl-4-((2S,4S)-4-isopropyl-5-oxotetrahydrofuran-2-yl)-butanoyl)oxazolidin-2-one

Downstream raw materials:

(3S,5S)-tert-butyl-3-isopropyl-5-((2S,4S)-4-isopropyl-5-oxotetrahydrofuran-2-yl)-2-oxopyrrolidine-1-carboxylate

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