4,4-Diethoxybut-2-ynal

Base Information

• Chemical Name: 4,4-Diethoxybut-2-ynal
• CAS No.: 74149-25-0
• Molecular Formula: C8H12 O3
• Molecular Weight: 156.181
• Hs Code.: 29124900
• DSSTox Substance ID: DTXSID20369141
• Nikkaji Number: J786.481G
• Wikidata: Q82156178
• Mol file: 74149-25-0.mol

Synonyms:4,4-diethoxybut-2-ynal;74149-25-0;4,4-DIETHOXY-2-BUTYN-1-AL;4,4-diethoxy-2-Butynal;diethoxybutynal;4,4-Diethoxy-but-2-ynal;SCHEMBL4706647;DTXSID20369141;BZORVIUSVBCDQY-UHFFFAOYSA-N;AKOS015904227;CS-0106401;A865958

Chemical Property of 4,4-Diethoxybut-2-ynal

Chemical Property:

• Vapor Pressure: 0.186mmHg at 25°C
• Refractive Index: 1.442-1.444
• Boiling Point: 73-74 °C (4 mmHg)
• Flash Point: 82.9°C
• PSA: 35.53000
• Density: 1.012g/cm³
• LogP: 0.58780
• Storage Temp.: 0-6°C
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 156.078644241
• Heavy Atom Count: 11
• Complexity: 157

Purity/Quality:

97% ^*data from raw suppliers

4,4-Diethoxybut-2-ynal 95+% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(C#CC=O)OCC

Technology Process of 4,4-Diethoxybut-2-ynal

There total 7 articles about 4,4-Diethoxybut-2-ynal 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: 80.0%

1,1,4,4-tetraethoxy-2-butyne (3975-08-4) → 4,4-diethoxy-2-butynal (74149-25-0)

Guidance literature:

With formic acid; In chloroform; at 15 ℃; for 13h;

DOI:10.1016/S0040-4020(01)88374-5

Reference yield: 60.0%

4,4-diethoxy-but-2-yn-1-ol (18350-44-2) → 4,4-diethoxy-2-butynal (74149-25-0)

Guidance literature:

With manganese(IV) oxide; In dichloromethane; for 1.5h;

Reference yield: 2.7%

Propiolaldehyde diethyl acetal (10160-87-9) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 4,4-diethoxy-2-butynal (74149-25-0)

Guidance literature:

Propiolaldehyde diethyl acetal; With n-butyllithium; In tetrahydrofuran; hexane; ethyl acetate; N,N-dimethyl-formamide; at -70 - -40 ℃; for 0.25h;

N,N-dimethyl-formamide; In tetrahydrofuran; hexane; at -70 - -10 ℃;

upstream raw materials:

1,1,4,4-tetraethoxy-2-butyne

4,4-diethoxy-but-2-yn-1-ol

diethyl phenyl orthoformate

Propiolaldehyde diethyl acetal

Downstream raw materials:

5-(diethoxymethyl)-2-(1-phenyl-2-thioxoethylidene)-1,3-dithiole-4-carbaldehyde

5-Diethoxymethyl-2-[2-thioxo-1-p-tolyl-eth-(Z)-ylidene]-[1,3]dithiole-4-carbaldehyde

C₂₄H₃₅N₄O₅P

C₂₄H₃₅N₄O₄PS