ethyl 2-[4-[(Z)-4-[4-(2-ethoxy-2-oxoethoxy)phenyl]hex-3-en-3-yl]phenoxy]acetate

Base Information

• Chemical Name: ethyl 2-[4-[(Z)-4-[4-(2-ethoxy-2-oxoethoxy)phenyl]hex-3-en-3-yl]phenoxy]acetate
• CAS No.: 6325-57-1
• Molecular Formula: C26H32 O6
• Molecular Weight: 440.536
• NSC Number: 30980
• Mol file: 6325-57-1.mol

Synonyms:6325-57-1;NSC30980;NSC-30980

Chemical Property of ethyl 2-[4-[(Z)-4-[4-(2-ethoxy-2-oxoethoxy)phenyl]hex-3-en-3-yl]phenoxy]acetate

Chemical Property:

• Boiling Point: 547.8°Cat760mmHg
• Flash Point: 232.9°C
• Density: 1.102g/cm³
• XLogP3: 6.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 14
• Exact Mass: 440.21988874
• Heavy Atom Count: 32
• Complexity: 545

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=C(CC)C1=CC=C(C=C1)OCC(=O)OCC)C2=CC=C(C=C2)OCC(=O)OCC
• Isomeric SMILES: CC/C(=C(\CC)/C1=CC=C(C=C1)OCC(=O)OCC)/C2=CC=C(C=C2)OCC(=O)OCC

Technology Process of ethyl 2-[4-[(Z)-4-[4-(2-ethoxy-2-oxoethoxy)phenyl]hex-3-en-3-yl]phenoxy]acetate

There total 1 articles about ethyl 2-[4-[(Z)-4-[4-(2-ethoxy-2-oxoethoxy)phenyl]hex-3-en-3-yl]phenoxy]acetate 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:

chloroacetic acid ethyl ester (105-39-5) → 4.4'-bis-ethoxycarbonylmethoxy-α.α'-diethyl-trans-stilbene (6325-57-1)

Guidance literature:

With ethanol;

DOI:10.1021/ja01215a014

Reference yield:

4.4'-bis-ethoxycarbonylmethoxy-α.α'-diethyl-trans-stilbene (6325-57-1) + N,N-bis(chloro-2-ethyl)amine (334-22-5) → 2-{4-[(E)-2-(4-{[Bis-(2-chloro-ethyl)-carbamoyl]-methoxy}-phenyl)-1-ethyl-but-1-enyl]-phenoxy}-N,N-bis-(2-chloro-ethyl)-acetamide (59971-35-6)

Guidance literature:

Multistep reaction; (i) aq. NaOH, (ii) SOCl₂, (iii) /BRN= 605316/, Et₃N;

DOI:10.1021/jm00233a016

Reference yield:

4.4'-bis-ethoxycarbonylmethoxy-α.α'-diethyl-trans-stilbene (6325-57-1) → 4.4'-bis-chloroformylmethoxy-α.α'-diethyl-trans-stilbene (59971-37-8)

Guidance literature:

Multistep reaction; (i) aq. NaOH, (ii) SOCl₂;

DOI:10.1021/jm00233a016

upstream raw materials:

chloroacetic acid ethyl ester

Downstream raw materials:

4.4'-bis-carboxymethoxy-α.α'-diethyl-trans-stilbene

(E)-2,2'-((hex-3-ene-3,4-diylbis(4,1-phenylene))bis(oxy))diethanol

4.4'-bis-chloroformylmethoxy-α.α'-diethyl-trans-stilbene

2-{4-[(E)-2-(4-{[Bis-(2-hydroxy-ethyl)-carbamoyl]-methoxy}-phenyl)-1-ethyl-but-1-enyl]-phenoxy}-N,N-bis-(2-hydroxy-ethyl)-acetamide