2-Butyn-1-al diethyl acetal

Base Information

• Chemical Name: 2-Butyn-1-al diethyl acetal
• CAS No.: 2806-97-5
• Molecular Formula: C8H14O2
• Molecular Weight: 142.198
• Hs Code.: 29110000
• European Community (EC) Number: 622-982-5
• DSSTox Substance ID: DTXSID30182343
• Nikkaji Number: J236.178G
• Wikidata: Q83053006
• Mol file: 2806-97-5.mol

Synonyms:2806-97-5;2-BUTYNAL DIETHYL ACETAL;2-Butyn-1-al diethyl acetal;1,1-diethoxybut-2-yne;2-Butynyl aldehyde diethyl acetal;2-Butyne, 1,1-diethoxy-;2-BUTYNALDIETHYLACETAL;1,1-Diethoxy-but-2-yne;MFCD00009274;1-Diethoxybut-2-yne;1,1-Diethoxy-2-butyne;Tetrolaldehyde diethyl acetal;1,1-Diethoxy-2-butyne #;2-butyne-1-al diethyl acetal;SCHEMBL1578031;FKKVKKSEVMQYER-UHFFFAOYSA-;DTXSID30182343;AKOS015830628;FT-0611637;J-016960;InChI=1/C8H14O2/c1-4-7-8(9-5-2)10-6-3/h8H,5-6H2,1-3H3

Chemical Property of 2-Butyn-1-al diethyl acetal

Chemical Property:

• Appearance/Colour: clear light yellow liquid
• Vapor Pressure: 0.984mmHg at 25°C
• Refractive Index: n20/D 1.426(lit.)
• Boiling Point: 184.8 °C at 760 mmHg
• Flash Point: 55.6 °C
• PSA: 18.46000
• Density: 0.905 g/cm³
• LogP: 1.40880
• Water Solubility.: Not miscible in water.
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 142.099379685
• Heavy Atom Count: 10
• Complexity: 123

Purity/Quality:

99% ^*data from raw suppliers

2-Butynylaldehydediethylacetal 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(C#CC)OCC
• Uses: 2-Butynal diethyl acetal is used as pharmaceutical intermediates.

Technology Process of 2-Butyn-1-al diethyl acetal

There total 4 articles about 2-Butyn-1-al diethyl acetal 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:

ethanol (64-17-5) + 1-bromo-2,2-dichloro-1-methylcyclopropane (14477-99-7) → 1,1-diethoxy-2-butyne (2806-97-5) + 3,3-diethoxy-but-1-yne (132284-55-0) + 3-ethoxymethacrolein (42588-57-8)

Guidance literature:

With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; In dichloromethane; Yield given. Yields of byproduct given; Ambient temperature;

DOI:10.3891/acta.chem.scand.50-0446

Reference yield:

ethanol (64-17-5) + 1,2,2-trichloro-1-methylcyclopropane (130894-82-5) → 1,1-diethoxy-2-butyne (2806-97-5) + 3,3-diethoxy-but-1-yne (132284-55-0) + 3-ethoxymethacrolein (42588-57-8)

Guidance literature:

With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; In dichloromethane; Yield given. Yields of byproduct given; Ambient temperature;

DOI:10.3891/acta.chem.scand.50-0446

Reference yield:

ethanol (64-17-5) + 1,1,2-Trichloro-3-methyl-cyclopropane → 1,1-diethoxy-2-butyne (2806-97-5) + 3,3-diethoxy-but-1-yne (132284-55-0) + 3-ethoxymethacrolein (42588-57-8)

Guidance literature:

With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; In dichloromethane; Yield given. Yields of byproduct given; Ambient temperature;

DOI:10.3891/acta.chem.scand.50-0446

upstream raw materials:

ethanol

1-bromo-2,2-dichloro-1-methylcyclopropane

1,2,2-trichloro-1-methylcyclopropane

Downstream raw materials:

(E)-crotonaldehyde diethyl acetal

3-ethoxy-1-phenylhex-4-yn-1-one

1,1,6,6-tetraphenyl-2,4-hexadiyne-1,6-diol

6-chloro-1-(4-chlorophenyl)-2-methylpyrazolo[5,1-b]quinazolin-9(1H)-one

Refernces