2-Butenal, 4,4-dimethoxy-

Base Information

• Chemical Name: 2-Butenal, 4,4-dimethoxy-
• CAS No.: 18778-96-6
• Molecular Formula: C₆H₁₀O₃
• Molecular Weight: 130.144
• DSSTox Substance ID: DTXSID901313968
• Mol file: 18778-96-6.mol

Synonyms:2-Butenal, 4,4-dimethoxy-;DTXSID901313968;2-Butenedial, mono(dimethyl acetal);18778-96-6;FT-0690287

Chemical Property of 2-Butenal, 4,4-dimethoxy-

Chemical Property:

• PSA: 35.53000
• LogP: 0.36040
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 130.062994177
• Heavy Atom Count: 9
• Complexity: 94.5

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(C=CC=O)OC

Technology Process of 2-Butenal, 4,4-dimethoxy-

There total 4 articles about 2-Butenal, 4,4-dimethoxy- 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: 95.0%

trans-butenedial bis-(dimethyl acetal) (6068-62-8) → (2E)-4,4-dimethoxybut-2-enal (18778-96-6,4093-49-6)

Guidance literature:

With amberlyst-15; In water; acetone; for 0.0833333h;

DOI:10.1055/s-1984-31059

Reference yield:

2,5-dihydro-2,5-dimethoxyfuran (332-77-4) → (2E)-4,4-dimethoxybut-2-enal (18778-96-6,4093-49-6)

Guidance literature:

Multi-step reaction with 2 steps

1: toluene-4-sulfonic acid / methanol / 1 h / Reflux

2: water / acetone / 2.5 h / 0 °C

With water; toluene-4-sulfonic acid; In methanol; acetone;

DOI:10.1039/c5cc01077b

Reference yield:

trans-butenedial bis-(dimethyl acetal) (6068-62-8) → fumaraldehyde (3675-14-7) + (2E)-4,4-dimethoxybut-2-enal (18778-96-6,4093-49-6)

Guidance literature:

With acidic Amberlyst-15 ion exchange resin; In water; acetone; at 0 ℃; for 1h; Title compound not separated from byproducts;

DOI:10.1021/tx00044a014

upstream raw materials:

furan

methanol

trans-butenedial bis-(dimethyl acetal)

2,5-dihydro-2,5-dimethoxyfuran

Downstream raw materials:

(E)-4,4-dimethoxy-but-2-enoic acid ethyl ester

tert-Butyl-[(R)-1-((E)-3,3-dimethoxy-propenyl)-hexyloxy]-diphenyl-silane

tert-Butyl-[(S)-1-((E)-3,3-dimethoxy-propenyl)-hexyloxy]-diphenyl-silane

Benzoic acid (2E,4Z,7Z)-(R)-11-methoxycarbonyl-1-pentyl-undeca-2,4,7-trienyl ester