(E)-Ethyl 2-(4-methoxy-3-(3-methoxypropoxy)benzylidene)-3-methylbutanoate

Base Information

• Chemical Name: (E)-Ethyl 2-(4-methoxy-3-(3-methoxypropoxy)benzylidene)-3-methylbutanoate
• CAS No.: 387356-94-7
• Molecular Formula: C19H28O5
• Molecular Weight: 336.42
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID70467065
• Wikidata: Q82293844
• Mol file: 387356-94-7.mol

Synonyms:387356-94-7;(E)-Ethyl 2-(4-methoxy-3-(3-methoxypropoxy)benzylidene)-3-methylbutanoate;ethyl (2E)-2-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methylidene]-3-methylbutanoate;DTXSID70467065;(E)-Ethyl2-(4-methoxy-3-(3-methoxypropoxy)benzylidene)-3-methylbutanoate

Chemical Property of (E)-Ethyl 2-(4-methoxy-3-(3-methoxypropoxy)benzylidene)-3-methylbutanoate

Chemical Property:

• PSA: 53.99000
• LogP: 3.71300
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 11
• Exact Mass: 336.19367399
• Heavy Atom Count: 24
• Complexity: 391

Purity/Quality:

99% ^*data from raw suppliers

(E)-Ethyl2-(4-methoxy-3-(3-methoxypropoxy)benzylidene)-3-methylbutanoate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (E)-Ethyl 2-(4-methoxy-3-(3-methoxypropoxy)benzylidene)-3-methylbutanoate

There total 3 articles about (E)-Ethyl 2-(4-methoxy-3-(3-methoxypropoxy)benzylidene)-3-methylbutanoate 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:

C21H32O7 → ethyl (Z)-2-(4-methoxy-3-(3-methoxypropoxy)benzylidene)-3-methylbutanoate (1256556-52-1) + ethyl (E)-2-(4-methoxy-3-(3-methoxypropoxy)benzylidene)-3-methylbutanoate (387356-94-7)

Guidance literature:

With potassium tert-butylate; In tetrahydrofuran; at -2 - 0 ℃; for 2h; optical yield given as %de;

DOI:10.1039/c0gc00013b

Reference yield:

(E)-2-(4-methoxy-3-(3-methoxypropoxy)-benzylidene)-3-methylbutanoic acid (387868-07-7) → ethyl (E)-2-(4-methoxy-3-(3-methoxypropoxy)benzylidene)-3-methylbutanoate (387356-94-7)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine; thionyl chloride / dichloromethane / 0.5 h / 0 °C

2: dichloromethane / 20 °C

With thionyl chloride; triethylamine; In dichloromethane;

DOI:10.1002/chem.201202397

Reference yield:

ethanol (64-17-5) + C17H23ClO4 → ethyl (E)-2-(4-methoxy-3-(3-methoxypropoxy)benzylidene)-3-methylbutanoate (387356-94-7)

Guidance literature:

In dichloromethane; at 20 ℃;

DOI:10.1002/chem.201202397

upstream raw materials:

(E)-2-(4-methoxy-3-(3-methoxypropoxy)-benzylidene)-3-methylbutanoic acid

ethanol