tert-Butyl isopropyl ether

Base Information

• Chemical Name: tert-Butyl isopropyl ether
• CAS No.: 17348-59-3
• Molecular Formula: C7H16O
• Molecular Weight: 116.203
• Hs Code.: 2909199090
• European Community (EC) Number: 241-373-1
• DSSTox Substance ID: DTXSID4051792
• Nikkaji Number: J125.222D
• Wikidata: Q72503498
• Mol file: 17348-59-3.mol

Synonyms:tert-Butyl isopropyl ether;17348-59-3;Propane, 2-methyl-2-(1-methylethoxy)-;Isopropyl tert-butyl ether;2-Isopropoxy-2-methylpropane;2-methyl-2-propan-2-yloxypropane;Ether, tert-butyl isopropyl;2-Methyl-2-(1-methylethoxy)propane;EINECS 241-373-1;t-butyl isopropyl ether;BRN 1731810;MFCD01697698;Propane,2-methyl-2-(1-methylethoxy)-;tert-butylisopropyl ether;isopropyl tertiary butyl ether;SCHEMBL105383;DTXSID4051792;(i-C3H7)O(t-C4H9);2-methyl-2-(1-methylethoxy)-propane;AKOS028110616;BS-18923;SY243391;LS-120835;FT-0664138;Ether, tert-butyl isopropyl (6CI,7CI,8CI)

Chemical Property of tert-Butyl isopropyl ether

Chemical Property:

• Vapor Pressure: 71.2mmHg at 25°C
• Melting Point: -95.35°C
• Refractive Index: 1.394
• Boiling Point: 87.6°C at 760mmHg
• PSA: 9.23000
• Density: 0.77g/cm³
• LogP: 2.20990
• Water Solubility.: 0.5g/L(25 oC)
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 116.120115130
• Heavy Atom Count: 8
• Complexity: 59.3

Purity/Quality:

99% ^*data from raw suppliers

tert-ButylIsopropylEther ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC(C)(C)C

Technology Process of tert-Butyl isopropyl ether

There total 10 articles about tert-Butyl isopropyl 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: 8.0%

isopropyl alcohol (67-63-0,8013-70-5) + tert-butyl alcohol (75-65-0) → isopropyl tert-butyl ether (17348-59-3)

Guidance literature:

With hydrogen; iodine; at 100 ℃; for 0.5h; under 60004.8 Torr;

DOI:10.1016/S0040-4039(00)87903-4

Reference yield:

isopropyl N-{5-({[(2S,4S)-1-(tert-butoxycarbonyl)-4-(pyridin-3-ylcarbonyl)thiopyrrolidin-2-yl]methyl}amino)-2-[2-(4-fluorophenyl)ethyl]benzoyl}-L-methioninate (345915-09-5) + isopropyl alcohol (67-63-0,8013-70-5) → isopropyl N-{5-({[(2S,4S)-4-(pyridin-3-ylcarbonyl)thiopyrrolidin-2-yl]methyl}amino)-2-[2-(4-fluorophenyl)ethyl]benzoyl}-L-methioninate (345915-10-8) + tertiary butyl chloride (507-20-0) + isopropyl tert-butyl ether (17348-59-3)

Guidance literature:

With hydrogenchloride; In toluene; at 50 ℃; Concentration; Temperature; Kinetics; Inert atmosphere;

DOI:10.1021/jo101767h

Reference yield:

4-Chloro-phenol; compound with 2-isopropoxy-2-methyl-propane → isopropyl tert-butyl ether (17348-59-3) + 4-chloro-phenol (106-48-9,82344-39-6)

Guidance literature:

In cyclohexane; at 20 ℃; Equilibrium constant;

DOI:10.1021/jo01294a053

upstream raw materials:

tertiary butyl chloride

isopropyl alcohol

isobutene

tert-butyl alcohol

Downstream raw materials:

isobutene

acetone

tert-butyl alcohol

isopropyl alcohol

Refernces

• 1、 -. "METHOD FOR PRODUCING ASYMMETRIC ALKYL ETHER HAVING TERTIARY ALKYL GROUP". Paragraph 0021. . Retrieved 2017/01/31.
• 2、 Krasnykh,Levanova,Karaseva,Kirgizova,Varushchenko,Druzhinina,Pashchenko. "Specifics of the synthesis of some alkyl tert-alkyl ethers and their thermodynamic properties". . p. 92 - 95. Retrieved 2007/10/03.