Acrolein dimethyl acetal

Base Information

• Chemical Name: Acrolein dimethyl acetal
• CAS No.: 6044-68-4
• Molecular Formula: C5H10O2
• Molecular Weight: 102.133
• Hs Code.: 2911000000
• European Community (EC) Number: 227-936-4
• NSC Number: 84156
• DSSTox Substance ID: DTXSID30209185
• Nikkaji Number: J51.034C
• Wikidata: Q72436413
• Mol file: 6044-68-4.mol

Synonyms:Acrolein dimethyl acetal;6044-68-4;3,3-dimethoxyprop-1-ene;1-Propene, 3,3-dimethoxy-;3,3-Dimethoxy-1-propene;3,3-Dimethoxypropene-1;acroleindimethylacetal;3,3-Dimethoxypropene;Acrolein,dimethyl acetal;EINECS 227-936-4;NSC 84156;BRN 1700037;AI3-37780;NSC84156;3,3-dimethoxy-propene;1-Propene,3-dimethoxy-;5-bormo-2-methylpyridine;3,3-Dimethoxy-1-propene #;SCHEMBL243362;Acrolein dimethyl acetal, 98%;WLN: 1OYO1&1U1;DTXSID30209185;MFCD00008632;NSC-84156;AKOS015915507;LS-123471;EN300-118949;A832731;W-105251;F8889-1433

Chemical Property of Acrolein dimethyl acetal

Chemical Property:

• Appearance/Colour: colorless clear liquid
• Vapor Pressure: 65.961mmHg at 25°C
• Refractive Index: n20/D 1.395(lit.)
• Boiling Point: 89.5 °C at 760 mmHg
• Flash Point: 27 °F
• PSA: 18.46000
• Density: 0.856 g/cm³
• LogP: 0.79130
• Storage Temp.: 2-8°C
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 102.068079557
• Heavy Atom Count: 7
• Complexity: 48

Purity/Quality:

98% , ^*data from raw suppliers

Acrolein Dimethyl Acetal ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F
• Hazard Codes: F
• Statements: 11
• Safety Statements: 16-23-24/25-29-33

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Ethers, Other
• Canonical SMILES: COC(C=C)OC

Technology Process of Acrolein dimethyl acetal

There total 16 articles about Acrolein dimethyl 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: 91.5%

methanol (67-56-1) + acrolein (107-02-8,25068-14-8) → 3,3-dimethoxyprop-1-ene (6044-68-4) + acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3)

Guidance literature:

With oxygen; Pd₅-Bi₂-Fe₁/⁽¹⁰⁰⁾SiO₂-MgO; for 4h;

Reference yield: 37.0%

methanol (67-56-1) + allyl n-butyl ether (3739-64-8) → 3,3-dimethoxyprop-1-ene (6044-68-4) + 3-n-butyloxy-3-methoxy-1-propene (106521-18-0)

Guidance literature:

With tris (2,4-dibromophenyl)amine; sodium methylate; lithium perchlorate; at 40 ℃; electrochem. oxidation;

DOI:10.1016/S0040-4020(01)87786-3

Reference yield: 35.0%

methanol (67-56-1) + Allyl ether (557-40-4) → 3,3-dimethoxyprop-1-ene (6044-68-4) + 3-allyloxy-3-methoxy-1-propene (113443-66-6)

Guidance literature:

With tris (2,4-dibromophenyl)amine; sodium methylate; lithium perchlorate; at 40 ℃; electrochem. oxidation;

DOI:10.1016/S0040-4020(01)87786-3

upstream raw materials:

3-chloropropionaldehyde dimethyl acetal

3-bromopropanal dimethyl acetal

sodium methylate

1,1,3-trimethoxypropane

Downstream raw materials:

(3,3-dimethoxypropyl)trimethoxysilane

ethyl 2-methoxyacetate

ethyl 2,5-dimethoxy-4-pentenoate

ethyl 2,5-dimethoxy-4-pentenoate

Refernces

• 1、 -. "Process and apparatus for producing alpha, beta-unsaturated acetals". . . Retrieved 2008/06/13.
• 2、 Childs, Ronald F.,Hagar, Mark E.. "Photo- and thermal isomerization of some 1-methoxyallyl cations". . p. 1788 - 1794. Retrieved 2007/10/02.