(S)-4-Methyl-1,3-dioxolan-2-one

Base Information

• Chemical Name: (S)-4-Methyl-1,3-dioxolan-2-one
• CAS No.: 51260-39-0
• Molecular Formula: C4H6O3
• Molecular Weight: 102.09
• Hs Code.: 29161290
• DSSTox Substance ID: DTXSID701303042
• Nikkaji Number: J258.595B
• ChEMBL ID: CHEMBL1318031
• Mol file: 51260-39-0.mol

Synonyms:(S)-4-Methyl-1,3-dioxolan-2-one;51260-39-0;(4S)-4-methyl-1,3-dioxolan-2-one;(S)-Propylene Carbonate;(s)-(-)-1,2-propylene carbonate;1,3-Dioxolan-2-one, 4-methyl-, (S)-;(S)-(-)-Propylene carbonate;(S)-Propylenecarbonate;4-methyl-1,3-dioxolane-2-one;MFCD00798264;SCHEMBL3381047;CHEMBL1318031;DTXSID701303042;(S)-(-)-Propylene carbonate, 98%;AKOS015840867;CS-W011314;DS-4331;NCGC00166233-01;AC-26820;P1486;EN300-39552;D77722

Chemical Property of (S)-4-Methyl-1,3-dioxolan-2-one

Chemical Property:

• Appearance/Colour: colorless to light yellow liquid
• Refractive Index: n20/D 1.422(lit.)
• Boiling Point: 241.7 °C at 760 mmHg
• Flash Point: 135.3 °C
• PSA: 35.53000
• Density: 1.169 g/cm³
• LogP: 0.54170
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: Chloroform, Methanol
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 102.031694049
• Heavy Atom Count: 7
• Complexity: 88.9

Purity/Quality:

≥99% ^*data from raw suppliers

(S)-(?)-Propylene carbonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1COC(=O)O1
• Isomeric SMILES: C[C@H]1COC(=O)O1
• Uses: (S)-(-)-Propylene Carbonate is used in the synthesis of β-hydroxy sulfides.

Technology Process of (S)-4-Methyl-1,3-dioxolan-2-one

There total 9 articles about (S)-4-Methyl-1,3-dioxolan-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: 99.0%

carbon dioxide (124-38-9,18923-20-1) + (S)-Propylene oxide (16088-62-3) → (S)-(+)-4-methyl[1,3]dioxolan-2-one (51260-39-0)

Guidance literature:

With 1-n-butyl-3-methylimidazolim bromide; zinc dibromide; at 120 ℃; for 4h; under 22502.3 Torr; enantioselective reaction; Autoclave;

DOI:10.1016/j.molcata.2014.01.024

Reference yield: 97.0%

(S)-1,2-Propanediol (4254-15-3,63625-56-9) + carbonic acid dimethyl ester (616-38-6) → (S)-(+)-4-methyl[1,3]dioxolan-2-one (51260-39-0)

Guidance literature:

With sodium methylate; In methanol; at 60 - 115 ℃; for 25h;

Reference yield: 86.0%

carbon dioxide (124-38-9,18923-20-1) + methyloxirane (75-56-9,16033-71-9) → (S)-(+)-4-methyl[1,3]dioxolan-2-one (51260-39-0) + (R)-1,2-propylene carbonate (16606-55-6)

Guidance literature:

With 3C₄₂H₄₀N₂O₆^(4-)*4Cd⁽²⁺⁾*4Ni⁽²⁺⁾*Cl^(1-)*6H₂O*C₄₂H₄₁N₂O₆^(3-)*5C₃H₇NO; tetrabutylammomium bromide; In neat (no solvent); at 80 ℃; for 4h; under 15001.5 Torr; Reagent/catalyst; Temperature; Time; enantioselective reaction; Mechanism;

DOI:10.1039/c3dt50664a

upstream raw materials:

carbon dioxide

(S)-Propylene oxide

methyloxirane

(S)-1,2-Propanediol

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