2-(tert-Butoxy)butane

Base Information

• Chemical Name: 2-(tert-Butoxy)butane
• CAS No.: 32970-45-9
• Molecular Formula: C8H18 O
• Molecular Weight: 130.23
• Hs Code.: 2909199090
• European Community (EC) Number: 251-313-6
• DSSTox Substance ID: DTXSID60954611
• Nikkaji Number: J293.872C
• Mol file: 32970-45-9.mol

Synonyms:2-(tert-Butoxy)butane;32970-45-9;2-tert-butoxybutane;2-[(2-methylpropan-2-yl)oxy]butane;Butane, 2-(1,1-dimethylethoxy)-;EINECS 251-313-6;sec-butyl tert-butyl ether;MFCD23160711;2-(t-Butoxy)butane;SCHEMBL110670;sec.-Butyl-tert.-Butyl-ather;DTXSID60954611;BBL103993;STL557803;AKOS017343183;MS-20739;CS-0187818;A901804

Chemical Property of 2-(tert-Butoxy)butane

Chemical Property:

• Vapor Pressure: 21.2mmHg at 25°C
• Boiling Point: 117°Cat760mmHg
• Flash Point: 13.7°C
• PSA: 9.23000
• Density: 0.778g/cm³
• LogP: 2.60000
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 130.135765193
• Heavy Atom Count: 9
• Complexity: 71.1

Purity/Quality:

98%Min ^*data from raw suppliers

2-(1,1-Dimethylethoxy)butane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)OC(C)(C)C
• Uses: 2-(1,1-Dimethylethoxy)butane is a chemical reagent involved in petroleum chemistry. Used in the process of preparing eco-?sustainable erbium(III) triflate.

Technology Process of 2-(tert-Butoxy)butane

There total 6 articles about 2-(tert-Butoxy)butane 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: 97.0%

di-tert-butyl dicarbonate (24424-99-5) + iso-butanol (78-92-2,15892-23-6) → 2-(tert-butoxy)butane (32970-45-9)

Guidance literature:

With erbium(III) triflate; at 20 - 40 ℃; for 6h; Inert atmosphere; neat (no solvent);

DOI:10.1055/s-0030-1258332

Reference yield:

iso-butanol (78-92-2,15892-23-6) + tert-butyl alcohol (75-65-0) → 2-(tert-butoxy)butane (32970-45-9)

Guidance literature:

With activated clay; In cyclohexane; at 74 - 78 ℃; for 6h;

Reference yield:

isobutene (115-11-7,15220-85-6) + iso-butanol (78-92-2,15892-23-6) → 2-(tert-butoxy)butane (32970-45-9)

Guidance literature:

With sulfocationite KU-23; at 66.4 ℃; Thermodynamic data; var. temp., var. times; Δ_rH_m^o, Δ_rS_m^o;

DOI:10.1016/S0021-9614(05)80290-3

upstream raw materials:

isobutene

iso-butanol

t-butyl bromide

tert-Butyl peroxybenzoate

Downstream raw materials:

s-butyl chloride

tri-sec-butylborate

tertiary butyl chloride

iso-butanol

Refernces

• 1、 -. "METHOD FOR PRODUCING ASYMMETRIC ALKYL ETHER HAVING TERTIARY ALKYL GROUP". Paragraph 0024. . Retrieved 2017/01/31.