3,3-Diethoxy-1-propyne

Base Information

• Chemical Name: 3,3-Diethoxy-1-propyne
• CAS No.: 10160-87-9
• Molecular Formula: C7H12O2
• Molecular Weight: 128.171
• Hs Code.: 29110000
• European Community (EC) Number: 233-430-4
• NSC Number: 45019
• DSSTox Substance ID: DTXSID60144050
• Nikkaji Number: J227.079J
• Wikidata: Q63399246
• Mol file: 10160-87-9.mol

Synonyms:10160-87-9;3,3-Diethoxy-1-propyne;3,3-diethoxyprop-1-yne;Propargylaldehyde diethyl acetal;Propiolaldehyde diethyl acetal;1-Propyne, 3,3-diethoxy-;3,3-Diethoxypropyne;3,3-diethoxy-propyne;PROPYNAL DIETHYL ACETAL;MFCD00009237;36678-60-1;EINECS 233-430-4;NSC45019;1,1-diethoxy-2-propyne;3,3-diethoxy-1-propine;3,3-diethyloxyprop-1-yne;3,3-diethoxy-prop-1-yne;propiolaldehyde diethylacetal;propargylaldehyde diethylacetal;SCHEMBL135398;RGUXEWWHSQGVRZ-UHFFFAOYSA-;DTXSID60144050;3,3-Diethoxy-1-propyne, 97%;BCP18205;PROPARGYLALDEHYDEDIETHYLACETAL;BBL104277;NSC 45019;NSC-45019;STL558477;AKOS005175056;AM84305;CS-W011130;AS-30494;SY007404;FT-0636648;FT-0695561;P1173;EN300-73627;A800418;J-511065;Q63399246

Chemical Property of 3,3-Diethoxy-1-propyne

Chemical Property:

• Appearance/Colour: Clear light yellow liquid
• Vapor Pressure: 8.16mmHg at 25°C
• Refractive Index: n20/D 1.412(lit.)
• Boiling Point: 139 °C at 760 mmHg
• Flash Point: 32.2 °C
• PSA: 18.46000
• Density: 0.909 g/cm³
• LogP: 1.01870
• Storage Temp.: 2-8°C
• Solubility.: Chloroform, Methanol (Slightly)
• Water Solubility.: Slightly soluble in water.
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 128.083729621
• Heavy Atom Count: 9
• Complexity: 94.7

Purity/Quality:

99% ^*data from raw suppliers

Propargylaldehyde Diethyl Acetal ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 10-36/37/38
• Safety Statements: 16-26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(C#C)OCC
• Uses: Propargylaldehyde diethyl acetal is a useful reactant for the synthesis of alkenylsilanes via radical stereoselective hydrosilylation of alkynes with the help of Eosin Y and thiols as catalysts.

Technology Process of 3,3-Diethoxy-1-propyne

There total 22 articles about 3,3-Diethoxy-1-propyne 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%

2,3-dibromo-1,1-diethoxypropane (10160-86-8) → Propiolaldehyde diethyl acetal (10160-87-9)

Guidance literature:

With potassium hydroxide; tetraoctyl ammonium bromide; In Petroleum ether; at 80 ℃; for 6h;

DOI:10.1016/S0040-4020(01)98925-2

Reference yield: 70.0%

ethanol (64-17-5) + 1,1,2-tribromocyclopropane (178425-55-3) → Propiolaldehyde diethyl acetal (10160-87-9)

Guidance literature:

With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; In dichloromethane; Ambient temperature;

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

Reference yield: 57.0%

ethanol (64-17-5) + 1-bromo-2,2-dichlorocyclopropane (40745-72-0) → Propiolaldehyde diethyl acetal (10160-87-9)

Guidance literature:

With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; In dichloromethane; Ambient temperature;

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

upstream raw materials:

Propargylic aldehyde

ethanol

2,2-dibromo-propionaldehyde diethylacetal

6,6-diethoxy-3-methyl-hex-4-yn-3-ol

Downstream raw materials:

2-(methylsulfanyl)pyrimidine

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

5-(p-Chlorphenyl)-penta-2,4-diinal-diethylacetal

5-(p-Bromphenyl)-penta-2,4-diinal-diethylacetal

Refernces

• 1、 Gorgues, Le Coq. "-". . p. 4723. Retrieved 1976.
• 2、 Lin, Longfei,Sheveleva, Alena M.,da Silva, Ivan,Parlett, Christopher M. A.,Tang, Zhimou,Liu, Yueming,Fan, Mengtian,Han, Xue,Carter, Joseph H.,Tuna, Floriana,McInnes, Eric J. L.,Cheng, Yongqiang,Daemen, Luke L.,Rudi?, Svemir,Ramirez-Cuesta, Anibal J.,Tang, Chiu C.,Yang, Sihai. "Quantitative production of butenes from biomass-derived γ-valerolactone catalysed by hetero-atomic MFI zeolite". . p. 86 - 93. Retrieved 2020.
• 3、 Kreevoy et al.. "". . p. 1978,1979. Retrieved 1961.
• 4、 -. "Method for synthesizing bis(2-methyl-3-furyl) disulfide". Paragraph 0057; 0061-0064; 0081; 0089-0094; 0115; 0119-0122. . Retrieved 2017/07/19.