3,3,3-Triethoxyprop-1-yne

Base Information

• Chemical Name: 3,3,3-Triethoxyprop-1-yne
• CAS No.: 42217-00-5
• Molecular Formula: C9H16O3
• Molecular Weight: 172.224
• European Community (EC) Number: 830-878-8
• Nikkaji Number: J917.070G
• Mol file: 42217-00-5.mol

Synonyms:3,3,3-triethoxyprop-1-yne;42217-00-5;1-Propyne, 3,3,3-triethoxy-;3,3,3-triethoxy-1-propyne;3,3,3-Triethoxypropyne;SCHEMBL852665;3,3,3-triethoxy-prop-1-yne;MXIIFPFEQROLEO-UHFFFAOYSA-N;MFCD27950660;AT22875;AS-82861;SY221868;CS-0439118;EN300-364726

Chemical Property of 3,3,3-Triethoxyprop-1-yne

Chemical Property:

• Boiling Point: 207.6±35.0 °C(Predicted)
• PSA: 27.69000
• Density: 0.956±0.06 g/cm3(Predicted)
• LogP: 1.38290
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 172.109944368
• Heavy Atom Count: 12
• Complexity: 139

Purity/Quality:

98% ^*data from raw suppliers

3,3,3-triethoxyprop-1-yne ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(C#C)(OCC)OCC

Technology Process of 3,3,3-Triethoxyprop-1-yne

There total 9 articles about 3,3,3-Triethoxyprop-1-yne 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: 79.0%

triethyl orthoacrylate (42216-96-6) → 3,3,3-triethoxypropyne (42217-00-5)

Guidance literature:

triethyl orthoacrylate; With bromine; In dichloromethane; at 0 ℃; for 1.25h; Inert atmosphere;

With 18-crown-6 ether; potassium hydroxide; In n-heptane; at 98 ℃; for 18h; Inert atmosphere;

DOI:10.1002/ejoc.201800205

Reference yield: 72.6%

trimethyl(3,3,3-triethoxyprop-1-yn-1-yl)silane (91022-26-3) → 3,3,3-triethoxypropyne (42217-00-5)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 20 ℃; for 0.25h; Inert atmosphere;

DOI:10.1039/c4tb02018a

Reference yield:

Triethyl-2,3-dibrom-orthopropanoat (42216-99-9) → 3,3,3-triethoxypropyne (42217-00-5)

Guidance literature:

With potassium hydroxide; 18-crown-6 ether; In n-heptane; Yield given;

DOI:10.1016/0040-4039(88)85175-X

upstream raw materials:

2-bromo-orthopopenoate

Triethyl-2,3-dibrom-orthopropanoat

trimethyl(3,3,3-triethoxyprop-1-yn-1-yl)silane

2-bromo-1,1,1-triethoxypropane

Downstream raw materials:

3,3,3-triethoxy-1-phenyl-1-propyne

4,6,6-Trimethyl-cyclohexa-1,4-dienecarboxylic acid ethyl ester

4,6-Dimethyl-cyclohexa-1,4-dienecarboxylic acid ethyl ester

1-Triethoxyprop-1-ynyl-cyclohexanol