(-)-beta-Butyrolactone

Base Information

• Chemical Name: (-)-beta-Butyrolactone
• CAS No.: 65058-82-4
• Molecular Formula: C4H6O2
• Molecular Weight: 86.0904
• Hs Code.: 2932209090
• UNII: X25Z9LJI75
• Nikkaji Number: J365.281E
• Metabolomics Workbench ID: 135140
• ChEMBL ID: CHEMBL452927
• Mol file: 65058-82-4.mol

Synonyms:(-)-beta-Butyrolactone;(4S)-4-methyloxetan-2-one;(S)-Butyrolactone;65058-82-4;(s)-beta-butyrolactone;beta-Butyrolactone, (-)-;2-Oxetanone, 4-methyl-, (4S)-;UNII-X25Z9LJI75;(-)-beta-Methylpropiolactone;X25Z9LJI75;beta-hydroxybutrolactone;(S)-4-Methyloxetan-2-one;CHEMBL452927;(-)-.BETA.-BUTYROLACTONE;.BETA.-BUTYROLACTONE, (-)-;AKOS015900345;(-)-.BETA.-METHYLPROPIOLACTONE;Q27293396

Chemical Property of (-)-beta-Butyrolactone

Chemical Property:

• Boiling Point: 163.2±0.0 °C(Predicted)
• PSA: 26.30000
• Density: 1.096±0.06 g/cm3(Predicted)
• LogP: 0.32180
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 86.036779430
• Heavy Atom Count: 6
• Complexity: 77.6

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC(=O)O1
• Isomeric SMILES: C[C@H]1CC(=O)O1

Technology Process of (-)-beta-Butyrolactone

There total 37 articles about (-)-beta-Butyrolactone 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: 98.0%

carbon monoxide (201230-82-2) + methyloxirane (75-56-9,16033-71-9) → 4-methyloxetan-2-one (3068-88-0,32082-74-9,36536-46-6,65058-82-4)

Guidance literature:

With porous salphen chromium(III)tetracarbonylcobaltate polymer; In 1,2-dimethoxyethane; at 30 ℃; for 24h; under 45004.5 Torr; Reagent/catalyst; Solvent; Temperature; Pressure; Glovebox;

DOI:10.1021/acs.inorgchem.9b03247

Reference yield: 97.0%

carbon monoxide (201230-82-2) + (S)-propyleneoxide (287-25-2) → 4-methyloxetan-2-one (3068-88-0,32082-74-9,36536-46-6,65058-82-4)

Guidance literature:

Hexamethylbenzene; [(C₁TPP)Al][Co(CO)4]; In tetrahydrofuran; at 55 ℃; for 3h; under 775.743 - 10343.2 Torr; Inert atmosphere;

Reference yield: 90.0%

carbon monoxide (201230-82-2) + methyloxirane (75-56-9,16033-71-9) → 4-methyloxetan-2-one (3068-88-0,32082-74-9,36536-46-6,65058-82-4) + acetone (67-64-1)

Guidance literature:

With porous salphen chromium(III)tetracarbonylcobaltate polymer; In 1,2-dimethoxyethane; at 60 ℃; for 6h; under 45004.5 Torr; Reagent/catalyst; Glovebox;

DOI:10.1021/acs.inorgchem.9b03247

upstream raw materials:

4-methyleneoxetan-2-one

Ketene

acetaldehyde

1,4-dioxane

Downstream raw materials:

3,5-dimethyl-4-thia-heptanedioic acid

N-(p-Tolyl)-3-hydroxybutanamide

3-(N,N-Diphenylamino)buttersaeure

3-hydroxy-N-phenylbutansaeureamid