4,4-Diethoxybut-1-ene

Base Information

• Chemical Name: 4,4-Diethoxybut-1-ene
• CAS No.: 10602-36-5
• Molecular Formula: C8H16 O2
• Molecular Weight: 144.214
• European Community (EC) Number: 626-612-3
• NSC Number: 83289
• DSSTox Substance ID: DTXSID80292502
• Nikkaji Number: J266.753C
• Wikidata: Q82030829
• Mol file: 10602-36-5.mol

Synonyms:4,4-diethoxybut-1-ene;10602-36-5;3-Butenal diethyl acetal;1-Butene, 4,4-diethoxy-;NSC83289;3-butenal-diethylacetal;3-Butenal diethylacetal;SCHEMBL1162241;3-Butenal diethyl acetal, 97%;DTXSID80292502;PRCYIYOCMALJCX-UHFFFAOYSA-N;MFCD00012219;NSC-83289;AKOS015997648;LS-06089;FT-0636748;EN300-154120;J-001525

Chemical Property of 4,4-Diethoxybut-1-ene

Chemical Property:

• Vapor Pressure: 6.02mmHg at 25°C
• Refractive Index: n20/D 1.408(lit.)
• Boiling Point: 145.8°Cat760mmHg
• Flash Point: 33.9°C
• PSA: 18.46000
• Density: 0.854g/cm³
• LogP: 1.96160
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 144.115029749
• Heavy Atom Count: 10
• Complexity: 75.3

Purity/Quality:

97% ^*data from raw suppliers

3-Butenal diethyl acetal 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 10-36/37/38
• Safety Statements: 16-26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOC(CC=C)OCC

Technology Process of 4,4-Diethoxybut-1-ene

There total 13 articles about 4,4-Diethoxybut-1-ene 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: 98.0%

ethyl vinyl ether (109-92-2,25104-37-4) → 3-butenal 1,1-diethylacetal (10602-36-5)

Guidance literature:

With 2,6-di-tert-butyl-pyridine; 2C₃₂H₁₂BF₂₄^(1-)*C₇₂H₈₀Cl₂N₄Pd₂⁽⁴⁺⁾; In dichloromethane-d2; at 23 ℃; for 48h;

DOI:10.1021/ja104523y

Reference yield: 94.0%

Triallylborane (688-61-9,53588-88-8,90721-85-0,151452-33-4,151452-35-6) + orthoformic acid triethyl ester (122-51-0) → 3-butenal 1,1-diethylacetal (10602-36-5)

Guidance literature:

With zinc trifluoromethanesulfonate; at 25 - 75 ℃; for 7h; Temperature; Time; Reagent/catalyst; Inert atmosphere;

DOI:10.1007/s11172-014-0464-3

Reference yield: 87.0%

orthoformic acid triethyl ester (122-51-0) + allylmagnesium bromide (1730-25-2) → 3-butenal 1,1-diethylacetal (10602-36-5)

Guidance literature:

In tetrahydrofuran;

DOI:10.1135/cccc2008181

upstream raw materials:

mercury(II) diacetate

ethyl vinyl ether

orthoformic acid triethyl ester

allylmagnesium bromide

Downstream raw materials:

1,1-diethoxybutane

crotonaldehyde

napoleiferin

3-butenal dibenzylacetal