2-tert-Butoxytetrahydrofuran

Base Information

• Chemical Name: 2-tert-Butoxytetrahydrofuran
• CAS No.: 1927-59-9
• Molecular Formula: C8H16 O2
• Molecular Weight: 144.214
• Hs Code.: 2932190090
• European Community (EC) Number: 217-664-4
• DSSTox Substance ID: DTXSID20940939
• Nikkaji Number: J199.743B
• Mol file: 1927-59-9.mol

Synonyms:2-tert-Butoxytetrahydrofuran;1927-59-9;2-[(2-methylpropan-2-yl)oxy]oxolane;2-tert-Butoxyoxolane;2-(tert-butoxy)oxolane;2-t-butoxytetrahydrofuran;2-t-butoxy-tetrahydro-furan;SCHEMBL5450406;DTXSID20940939;EINECS 217-664-4;2-(1,1-Dimethylethoxy)tetrahydrofuran;FT-0613418

Chemical Property of 2-tert-Butoxytetrahydrofuran

Chemical Property:

• Vapor Pressure: 4.62mmHg at 25°C
• Refractive Index: 1.423-1.425
• Boiling Point: 151.7°Cat760mmHg
• Flash Point: 32.9°C
• PSA: 18.46000
• Density: 0.92g/cm³
• LogP: 1.93800
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 144.115029749
• Heavy Atom Count: 10
• Complexity: 104

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-TERT-BUTOXY TETRAHYDROFURAN 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38-10
• Safety Statements: 37/39-26-16

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC1CCCO1

Technology Process of 2-tert-Butoxytetrahydrofuran

There total 12 articles about 2-tert-Butoxytetrahydrofuran 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: 95.0%

tetrahydrofuran (109-99-9,24979-97-3,77392-70-2) + tert-butyl alcohol (75-65-0) → 2-tert-butoxytetrahydrofuran (1927-59-9)

Guidance literature:

With ceric triethylammonium nitrate; at 50 ℃; for 8h;

DOI:10.1055/s-1987-27903

Reference yield: 60.0%

2,3-dihydro-2H-furan (1191-99-7,75454-45-4) + tert-butyl alcohol (75-65-0) → 2-tert-butoxytetrahydrofuran (1927-59-9)

Guidance literature:

With toluene-4-sulfonic acid; In tetrahydrofuran; Ambient temperature;

DOI:10.1016/S0040-4020(97)01063-6

Reference yield: 42.0%

tetrahydrofuran (109-99-9,24979-97-3,77392-70-2) + perpentene-4 oate de tertiobutyle (84210-61-7) → 2-butanyltetrahydrofuran (1004-29-1) + octahydro-2,2′-bifuran (1592-33-2) + 2-tert-butoxytetrahydrofuran (1927-59-9) + pent-4-enoic acid (591-80-0) + acide (tetrahydrofuryl-2)-5 pentanoique (32933-12-3) + (tetrahydrofuryl-2)-5 pentanolide-4 (93676-72-3)

Guidance literature:

at 110 ℃; for 8h; Product distribution; Mechanism; other temperatures, other times, also with various ethers, other products;

upstream raw materials:

tetrahydrofuran

tert-Butyl peroxybenzoate

perpentene-4 oate de tertiobutyle

7-(tert-butylperoxy)hept-1-ene

Downstream raw materials:

tert-butyl alcohol

Refernces

• 1、 Coric, Ilija,Kim, Ji Hye,Vlaar, Tjostil,Patil, Mahendra,Thiel, Walter,List, Benjamin. "Bronsted acid catalyzed asymmetric SN2-Type O-alkylations". supporting information. p. 3490 - 3493. Retrieved 2013/05/09.
• 2、 Barton, Derek H. R.,Launay, Franck. "The selective functionalization of saturated hydrocarbons. Part 40. Aspects of Fe(II) based peroxide fragmentation in pyridine solution". . p. 14565 - 14578. Retrieved 2007/10/03.