cis-1-Propenyl tert-butyl ether

Base Information

• Chemical Name: cis-1-Propenyl tert-butyl ether
• CAS No.: 4188-71-0
• Molecular Formula: C₇H₁₄O
• Molecular Weight: 114.188
• Nikkaji Number: J1.513.240J
• Mol file: 4188-71-0.mol

Synonyms:cis-1-Propenyl tert-butyl ether;4188-71-0;(Z)-1-tert-Butoxy-propene;SCHEMBL891776;[(Z)-1-Propenyl]tert-butyl ether

Chemical Property of cis-1-Propenyl tert-butyl ether

Chemical Property:

• Vapor Pressure: 26.8mmHg at 25°C
• Boiling Point: 111.4°Cat760mmHg
• Flash Point: °C
• PSA: 9.23000
• Density: 0.792g/cm³
• LogP: 2.33510
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 114.104465066
• Heavy Atom Count: 8
• Complexity: 76.9

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC=COC(C)(C)C
• Isomeric SMILES: C/C=C\OC(C)(C)C

Technology Process of cis-1-Propenyl tert-butyl ether

There total 8 articles about cis-1-Propenyl tert-butyl ether 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:

allyl tert-butyl ether (1471-04-1) → (Z)-tert-butyl propen-1-yl ether (4188-72-1,16069-50-4,4188-71-0) + 1t-tert-butoxy-propene (4188-71-0,16069-50-4,4188-72-1)

Guidance literature:

With (carbonyl)(chloro)(hydrido)tris(triphenylphosphine)ruthenium(II); at 100 ℃; for 3h; optical yield given as %de; chemoselective reaction; Inert atmosphere;

DOI:10.1016/j.tet.2012.05.027

Reference yield:

allyl tert-butyl ether (1471-04-1) → (Z)-tert-butyl propen-1-yl ether (4188-72-1,16069-50-4,4188-71-0) + 1t-tert-butoxy-propene (4188-71-0,16069-50-4,4188-72-1)

Guidance literature:

With (carbonyl)(chloro)(hydrido)tris(triphenylphosphine)ruthenium(II); at 100 ℃; for 3h; optical yield given as %de; chemoselective reaction; Inert atmosphere;

DOI:10.1016/j.tet.2012.05.027

Reference yield:

allyl tert-butyl ether (1471-04-1) → (Z)-tert-butyl propen-1-yl ether (4188-72-1,16069-50-4,4188-71-0)

Guidance literature:

In dimethyl sulfoxide; at 75 - 170 ℃; Equilibrium constant; Thermodynamic data; ΔG(excit.), ΔH(excit.), ΔS(excit.);

DOI:10.1016/S0040-4020(01)81820-2

upstream raw materials:

Allyl ether

tert-butylmagnesium bromide

allyl tert-butyl ether

Downstream raw materials:

allyl tert-butyl ether

methyl 2-(3,5-dimethoxybenzamido)-3-tert-butoxy-2-phenylpentanoate

Refernces

• 1、 Krompiec, Stanis?aw,Bujak, Piotr,Szczepankiewicz, Wojciech. "Convenient synthesis of isoxazolines via tandem isomerization of allyl compounds to vinylic derivatives and 1,3-dipolar cycloaddition of nitrile oxides to the vinylic compounds". supporting information; experimental part. p. 6071 - 6074. Retrieved 2009/04/11.