1,1-Diethoxypent-2-yne

Base Information

• Chemical Name: 1,1-Diethoxypent-2-yne
• CAS No.: 18229-77-1
• Molecular Formula: C9H16 O2
• Molecular Weight: 156.225
• DSSTox Substance ID: DTXSID90426659
• Nikkaji Number: J2.221.784D
• Wikidata: Q82239510
• Mol file: 18229-77-1.mol

Synonyms:1,1-diethoxypent-2-yne;2-Pentynal diethyl acetal;18229-77-1;2-Pentyne, 1,1-diethoxy-;2-PENTYNALDIETHYLACETAL;(R)-azidophenylaceticacid;2-pentynal-diethyl-acetal;DTXSID90426659;AKOS006229564;FT-0613268

Chemical Property of 1,1-Diethoxypent-2-yne

Chemical Property:

• Vapor Pressure: 0.345mmHg at 25°C
• Refractive Index: 1.434
• Boiling Point: 206.2°Cat760mmHg
• Flash Point: 64.8°C
• PSA: 18.46000
• Density: 0.9g/cm³
• LogP: 1.79890
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 156.115029749
• Heavy Atom Count: 11
• Complexity: 134

Purity/Quality:

98%min ^*data from raw suppliers

2-PENTYNAL DIETHYL ACETAL 95.00% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC#CC(OCC)OCC

Technology Process of 1,1-Diethoxypent-2-yne

There total 1 articles about 1,1-Diethoxypent-2-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:

but-1-yne (107-00-6) + orthoformic acid triethyl ester (122-51-0) → 2-pentynal-diethyl-acetal (18229-77-1)

Guidance literature:

Multistep reaction; (i) EtMgBr, (ii) /BRN= 605384/;

Reference yield: 47.0%

2-pentynal-diethyl-acetal (18229-77-1) + Phenyl vinyl ketone (768-03-6,26742-84-7) → 3-ethoxy-2-methylene-1-phenylhept-4-yn-1-one (1272322-56-1)

Guidance literature:

2-pentynal-diethyl-acetal; Phenyl vinyl ketone; With thiophene; boron trifluoride diethyl etherate; dicobalt hexacarbonyl; In dichloromethane; at 0 ℃;

With triethylamine; In dichloromethane; at 0 ℃;

With ammonium cerium (IV) nitrate; In tetrahydrofuran; acetone;

DOI:10.1016/j.tetlet.2010.12.096

Reference yield:

2-pentynal-diethyl-acetal (18229-77-1) → pent-2-yn-1-al (55136-52-2)

Guidance literature:

With oxalic acid;

upstream raw materials:

but-1-yne

orthoformic acid triethyl ester

Downstream raw materials:

pent-2-yn-1-al

3-ethoxy-2-methylene-1-phenylhept-4-yn-1-one