Tert-butyl 1-methyl-2-propynyl ether

Base Information

• Chemical Name: Tert-butyl 1-methyl-2-propynyl ether
• CAS No.: 26826-40-4
• Molecular Formula: C8H14 O
• Molecular Weight: 126.199
• Hs Code.: 2909199090
• European Community (EC) Number: 620-647-8
• ChEMBL ID: CHEMBL1908229
• DSSTox Substance ID: DTXSID20403074
• Nikkaji Number: J2.103.377D
• Mol file: 26826-40-4.mol

Synonyms:tBMP ether;tert-butyl 1-methyl-2-propynyl ether

Chemical Property of Tert-butyl 1-methyl-2-propynyl ether

Chemical Property:

• Refractive Index: n20/D 1.41(lit.)
• Boiling Point: 41 °C25 mm Hg(lit.)
• Flash Point: 50 °F
• PSA: 9.23000
• Density: 0.795 g/mL at 25 °C(lit.)
• LogP: 1.82320
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 126.104465066
• Heavy Atom Count: 9
• Complexity: 121

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Hazard Codes: F
• Statements: 11
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C#C)OC(C)(C)C

Technology Process of Tert-butyl 1-methyl-2-propynyl ether

There total 1 articles about Tert-butyl 1-methyl-2-propynyl 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:

but-3-yn-2-ol (2028-63-9) + isobutene (115-11-7,15220-85-6) → tert-butyl 1-methyl-2-propynyl ether (26826-40-4)

Guidance literature:

With sulfuric acid; at 45 ℃;

Reference yield: 83.0%

4-acetamidobenzenesulfonyl azide (2158-14-7) + tert-butyl 1-methyl-2-propynyl ether (26826-40-4) → N-(4-acetamidophenylsulfonyl)-3-tert-butoxybutanamide

Guidance literature:

With tetrakis(actonitrile)copper(I) hexafluorophosphate; sodium hydrogencarbonate; tris[(1-benzyl-1H-1,2,3-triazol-4yl)methyl]amine; sodium L-ascorbate; In tert-butyl alcohol; at 20 ℃;

DOI:10.1002/anie.200503805

Reference yield: 82.0%

4-toluenesulfonyl azide (941-55-9) + tert-butyl 1-methyl-2-propynyl ether (26826-40-4) → 4-(1-tert-butoxyethyl)-1-(p-tosyl)-1H-1,2,3-triazole (1253966-27-6)

Guidance literature:

With copper(I) thiophene-2-carboxylate; In toluene; at 20 ℃; for 1h;

DOI:10.1021/ol102087r

upstream raw materials:

but-3-yn-2-ol

isobutene

Downstream raw materials:

(4-tert-Butoxy-1-ethoxy-pent-2-ynyl)-benzene

tert-butyl-dimethyl-(1-methyl-prop-2-ynyloxy)-silane

2-(2-(4-(1-tert-butoxyethyl)-1H-1,2,3-triazol-1-yl)ethyl)-3-oxo-N-[4-(trifluoromethoxy)benzyl]isoindoline-1-carboxamide

4-(1-tert-butoxyethyl)-1-(p-tosyl)-1H-1,2,3-triazole