beta-Isopropyl-beta-propiolactone

Base Information

• Chemical Name: beta-Isopropyl-beta-propiolactone
• CAS No.: 10359-02-1
• Molecular Formula: C6H10 O2
• Molecular Weight: 114.144
• Hs Code.: 2932209090
• DSSTox Substance ID: DTXSID50908486
• Mol file: 10359-02-1.mol

Synonyms:beta-Isopropyl-beta-propiolactone;3-propan-2-yloxetan-2-one;10359-02-1;SCHEMBL5410408;3-(Propan-2-yl)oxetan-2-one;DTXSID50908486

Chemical Property of beta-Isopropyl-beta-propiolactone

Chemical Property:

• Vapor Pressure: 2.03mmHg at 25°C
• Boiling Point: 163.8°Cat760mmHg
• Flash Point: 51.8°C
• PSA: 26.30000
• Density: 1.031g/cm³
• LogP: 0.81540
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 114.068079557
• Heavy Atom Count: 8
• Complexity: 107

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1COC1=O

Technology Process of beta-Isopropyl-beta-propiolactone

There total 3 articles about beta-Isopropyl-beta-propiolactone 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: 88.0%

Ketene (463-51-4) + isobutyraldehyde (78-84-2) → 4-(1-methylethyl)oxetan-2-one (10359-02-1)

Guidance literature:

With boron trifluoride diethyl etherate; In diethyl ether; at 10 ℃;

Reference yield: 59.0%

(RS)-carbonyl(cyclopentadienyl)[(SR)-3-hydroxy-4-methylpentanoyl](triphenylphosphino)iron → 4-(1-methylethyl)oxetan-2-one (10359-02-1)

Guidance literature:

(RS)-carbonyl(cyclopentadienyl)[(SR)-3-hydroxy-4-methylpentanoyl](triphenylphosphino)iron; With bromine; In dichloromethane; at -78 ℃; for 0.25h; Inert atmosphere;

With triethylamine; In dichloromethane; at -78 - 10 ℃; Inert atmosphere;

DOI:10.1016/j.tetasy.2008.11.012

Reference yield:

bis(benzonitrile)-1,4-bis(diphenylphosphino)butanepalladium bis(tetrafluoroborate) + isobutyraldehyde (78-84-2) → 4-(1-methylethyl)oxetan-2-one (10359-02-1)

Guidance literature:

With hydrogenchloride; sodium chloride; In dichloromethane;

upstream raw materials:

Ketene

isobutyraldehyde

Downstream raw materials:

4-Methylpentanoic acid

benzyl (S)-3-hydroxy-4-methylpentanoate

(S)-4-(1-methylethyl)oxetan-2-one