3-(4-Methoxyphenyl)-2-methylprop-2-enal

Base Information

• Chemical Name: 3-(4-Methoxyphenyl)-2-methylprop-2-enal
• CAS No.: 75101-99-4
• Molecular Formula: C11H12O2
• Molecular Weight: 176.215
• European Community (EC) Number: 945-034-5,265-737-4
• NSC Number: 638172,22285
• UNII: H1074TK90F
• DSSTox Substance ID: DTXSID801255747
• Nikkaji Number: J2.550.393G,J267.398C
• Wikidata: Q27279437
• Metabolomics Workbench ID: 47636
• Mol file: 75101-99-4.mol

Synonyms:(E)-3-(4-Methoxyphenyl)-2-methylacrylaldehyde;75101-99-4;3-(4-methoxyphenyl)-2-methylprop-2-enal;4'Methoxy-2-methylcinnamaldehyde;3-(p-Methoxyphenyl)-2-methyl-2-propenal;3-(4-Methoxyphenyl)-2-methyl-2-propenal;alpha-Methyl-4-methoxycinnamaldehyde;FEMA No. 3182;2-Methyl-3-(4-methoxyphenyl)-2-propenal;alpha-Methylmethoxycinnamic aldehyde;p-Methoxy-alpha-methylcinnamaldehyde;EINECS 265-737-4;2-((E)-4-Methoxybenzylidene)propan-1-al;UNII-H1074TK90F;(E)-3-(4-methoxyphenyl)-2-methylprop-2-enal;H1074TK90F;2-Propenal, 3-(4-methoxyphenyl)-2-methyl-, (E)-;2-Propenal, 3-(4-methoxyphenyl)-2-methyl-, (2E)-;NSC638172;alpha-Methyl p-methoxy cinnamic aldehyde;Cinnamaldehyde, p-methoxy-alpha-methyl-;SCHEMBL3071941;p-Methoxy-a-methylcinnamaldehyde;FEMA 3182;DTXSID801255747;NSC22285;NSC-22285;P-Methoxy-alpha -methylcinnamaldehyde;2-Methyl-3-(4-methoxyphenyl)propenal;AKOS022342150;p-Methoxy-.alpha.-methylcinnamaldehyde;NSC-638172;(E)-p-methoxy-alpha-methylcinnamaldehyde;alpha -methyl p-methoxy cinnamic aldehyde;.alpha.-Methyl p-methoxy cinnamic aldehyde;4-METHOXY-ALPHA-METHYLCINNAMALDEHYDE;LS-179917;CS-0224166;EN300-118070;F15127;(2E)-3-(4-Methoxyphenyl)-2-methyl-2-propenal;(2E)-3-(4-methoxyphenyl)-2-methylprop-2-enal;P-METHOXY-.ALPHA.-METHYLCINNAMALDEHYDE, (E)-;Q27279437;Z2417557210

Chemical Property of 3-(4-Methoxyphenyl)-2-methylprop-2-enal

Chemical Property:

• PSA: 26.30000
• LogP: 2.29740
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 176.083729621
• Heavy Atom Count: 13
• Complexity: 188

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=CC1=CC=C(C=C1)OC)C=O
• Isomeric SMILES: C/C(=C\C1=CC=C(C=C1)OC)/C=O

Technology Process of 3-(4-Methoxyphenyl)-2-methylprop-2-enal

There total 13 articles about 3-(4-Methoxyphenyl)-2-methylprop-2-enal 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: 80.0%

α,α-bis(trimethylsilyl)-tert-butylpropionaldimine (147227-25-6) + 4-methoxy-benzaldehyde (123-11-5) → (E)-3-(4-methoxyphenyl)-2-methylacrylaldehyde (75101-99-4)

Guidance literature:

α,α-bis(trimethylsilyl)-tert-butylpropionaldimine; 4-methoxy-benzaldehyde; With zinc dibromide; In tetrahydrofuran; at 20 ℃; for 5.5h;

With water; In tetrahydrofuran; at 20 ℃; for 1h;

DOI:10.1016/j.jorganchem.2006.03.015

Reference yield: 75.0%

4-methoxy-benzaldehyde (123-11-5) + propionaldehyde (123-38-6) → (E)-3-(4-methoxyphenyl)-2-methylacrylaldehyde (75101-99-4)

Guidance literature:

With pyrrolidine; propionic acid; at 75 ℃; for 24h; Inert atmosphere;

DOI:10.1039/c6ra01729k

Reference yield: 70.0%

2-methylpropenal (78-85-3,25120-30-3) + para-iodoanisole (696-62-8) → (E)-3-(4-methoxyphenyl)-2-methylacrylaldehyde (75101-99-4)

Guidance literature:

With N-(4-carbethoxyphenyl)urea; palladium diacetate; potassium carbonate; In tetrahydrofuran; 1-methyl-pyrrolidin-2-one; at 100 ℃; for 16h;

DOI:10.1016/j.tet.2013.09.019

upstream raw materials:

[(E)-3-(4-Methoxy-phenyl)-2-methyl-prop-2-en-(E)-ylidene]-phenyl-amine

N-cyclohexylimine of 2-triethylsilylpropionaldehyde

4-methoxy-benzaldehyde

propionaldehyde

Downstream raw materials:

(E)-3-(4-Methoxyphenyl)-2-methylprop-2-en-1-ol

2-[(2E,4E)-5-(4-Methoxy-phenyl)-2,4-dimethyl-penta-2,4-dien-(E)-ylidene]-malonic acid monomethyl ester

(E,E)-2-Methyl-1-(p-methoxyphenyl)-4-phenylbuta-1,3-diene

(S)-(-)-3-(4-methoxyphenyl)-2-methylpropan-1-ol