Ethyl propan-2-yl carbonate

Base Information

• Chemical Name: Ethyl propan-2-yl carbonate
• CAS No.: 35363-39-4
• Molecular Formula: C6H12O3
• Molecular Weight: 132.159
• Hs Code.: 2920909090
• DSSTox Substance ID: DTXSID60590896
• Nikkaji Number: J909.203J
• Wikidata: Q82484513
• Mol file: 35363-39-4.mol

Synonyms:ethyl propan-2-yl carbonate;35363-39-4;isopropyl ethyl carbonate;SCHEMBL187616;DTXSID60590896

Chemical Property of Ethyl propan-2-yl carbonate

Chemical Property:

• PSA: 35.53000
• LogP: 1.56790
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 132.078644241
• Heavy Atom Count: 9
• Complexity: 88.3

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)OC(C)C

Technology Process of Ethyl propan-2-yl carbonate

There total 2 articles about Ethyl propan-2-yl carbonate 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: 66.3%

ethanol (64-17-5) + isopropyl N-hydroxycarbamate (27108-52-7) → bis-2-propyl carbonate (6482-34-4) + ethyl isopropyl carbonate (35363-39-4)

Guidance literature:

With lead dioxide; In dichloromethane; at 40 ℃; for 0.166667h;

DOI:10.1135/cccc19961053

Reference yield: 25.9%

ethyl N-hydroxylcarbamate (589-41-3) + isopropyl alcohol (67-63-0,8013-70-5) → ethyl isopropyl carbonate (35363-39-4) + Diethyl carbonate (105-58-8,76619-83-5)

Guidance literature:

With lead dioxide; In dichloromethane; at 40 ℃; for 0.166667h;

DOI:10.1135/cccc19961053

Reference yield:

ethyl isopropyl carbonate (35363-39-4) + ((hex-3-ynyloxy)methyl)benzene (118006-68-1) → (E)-iso-propyl 5-(benzyloxy)-2-ethylpent-2-enoate (1189537-02-7) + (E)-iso-propyl 2-(2-(benzyloxy)ethyl)pent-2-enoate (1189537-03-8) + (E)-ethyl 2-(2-(benzyloxy)ethyl)pent-2-enoate (1189536-90-0) + (Z)-((hex-3-en-1-yloxy)-methyl)benzene (88191-39-3) + (E)-ethyl 5-(benzyloxy)-2-ethylpent-2-enoate (212000-37-8)

Guidance literature:

ethyl isopropyl carbonate; ((hex-3-ynyloxy)methyl)benzene; With titanium(IV) isopropylate; cyclopentylmagnesium chloride; In diethyl ether; at 0 ℃; Inert atmosphere;

With hydrogenchloride; water; In diethyl ether; at 0 ℃; diastereoselective reaction; Inert atmosphere;

DOI:10.1016/j.tet.2009.07.015

upstream raw materials:

ethanol

isopropyl N-hydroxycarbamate

ethyl N-hydroxylcarbamate

isopropyl alcohol

Downstream raw materials:

(Z)-2-(hex-3-en-1-yloxy)tetrahydro-2H-pyran

(E)-iso-propyl 2-(2-(tetrahydro-2H-pyran-2-yloxy)ethyl)-pent-2-enoate

(E)-iso-propyl 2-ethyl-5-(tetrahydro-2H-pyran-2-yloxy)-pent-2-enoate

(E)-iso-propyl 2-benzylidenepentanoate