(E)-1-Butyl-4-(1-chloro-2-(4-ethoxyphenyl)vinyl)benzene

Base Information

• Chemical Name: (E)-1-Butyl-4-(1-chloro-2-(4-ethoxyphenyl)vinyl)benzene
• CAS No.: 54513-47-2
• Molecular Formula: C₂₀H₂₃ClO
• Molecular Weight: 314.855
• European Community (EC) Number: 259-194-2
• DSSTox Substance ID: DTXSID701178110
• Nikkaji Number: J266.902A
• Mol file: 54513-47-2.mol

Synonyms:54513-47-2;EINECS 259-194-2;(E)-1-Butyl-4-(1-chloro-2-(4-ethoxyphenyl)vinyl)benzene;(E)-1-BUTYL-4-[1-CHLORO-2-(4-ETHOXYPHENYL)VINYL]BENZENE;C20H23ClO;1-butyl-4-[(E)-1-chloro-2-(4-ethoxyphenyl)ethenyl]benzene;DTXSID701178110;Benzene, 1-butyl-4-[1-chloro-2-(4-ethoxyphenyl)ethenyl]-, (E)-

Chemical Property of (E)-1-Butyl-4-(1-chloro-2-(4-ethoxyphenyl)vinyl)benzene

Chemical Property:

• Vapor Pressure: 3.71E-07mmHg at 25°C
• Boiling Point: 428.7°C at 760 mmHg
• Flash Point: 209.5°C
• PSA: 9.23000
• Density: 1.071g/cm³
• LogP: 6.16480
• XLogP3: 6.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 314.1437430
• Heavy Atom Count: 22
• Complexity: 323

Purity/Quality:

99% ^*data from raw suppliers

TRANS-4-BUTYL-ALPHA-CHLORO-4'-ETHOXYSTILBENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1=CC=C(C=C1)C(=CC2=CC=C(C=C2)OCC)Cl
• Isomeric SMILES: CCCCC1=CC=C(C=C1)/C(=C\C2=CC=C(C=C2)OCC)/Cl

Technology Process of (E)-1-Butyl-4-(1-chloro-2-(4-ethoxyphenyl)vinyl)benzene

There total 3 articles about (E)-1-Butyl-4-(1-chloro-2-(4-ethoxyphenyl)vinyl)benzene 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:

4-ethoxyphenylacetic acid (4919-33-9) + 1-butylbenzene (104-51-8) → 4-n-Butyl-4'-ethoxy-α-chlor-trans-stilben (33468-14-3,54513-47-2)

Guidance literature:

Multistep reaction; (i) SOCl₂, (ii) /BRN= 1903395/, AlCl₃, (iii) PCl₅;

DOI:10.1021/ja00766a054

Reference yield:

1-(4-Butyl-phenyl)-2-(4-ethoxy-phenyl)-ethanone (38803-43-9) → 4-n-Butyl-4'-ethoxy-α-chlor-trans-stilben (33468-14-3,54513-47-2)

Guidance literature:

With phosphorus pentachloride;

Reference yield:

→ 4-n-Butyl-4'-ethoxy-α-chlor-trans-stilben (33468-14-3,54513-47-2)

Guidance literature:

Keton, PCl5;

upstream raw materials:

1-(4-Butyl-phenyl)-2-(4-ethoxy-phenyl)-ethanone

4-ethoxyphenylacetic acid

1-butylbenzene

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