4-Chlorocinnamic acid tert-butyl ester

Base Information

• Chemical Name: 4-Chlorocinnamic acid tert-butyl ester
• CAS No.: 125950-99-4
• Molecular Formula: C13H15ClO2
• Molecular Weight: 238.714
• European Community (EC) Number: 854-513-7
• Nikkaji Number: J1.171.566D,J1.700.836F
• Mol file: 125950-99-4.mol

Synonyms:125950-99-4;4-Chlorocinnamic acid tert-butyl ester;2-Propenoic acid, 3-(4-chlorophenyl)-, 1,1-dimethylethyl ester, (2E)-;Tert-butyl (E)-3-(4-chlorophenyl)prop-2-enoate;SCHEMBL804964;AKOS018051375;EN300-761697;tert-butyl (2E)-3-(4-chlorophenyl)prop-2-enoate;Z2646503660

Chemical Property of 4-Chlorocinnamic acid tert-butyl ester

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 238.0760574
• Heavy Atom Count: 16
• Complexity: 258

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 4-Chlorocinnamic acid tert-butyl ester

There total 27 articles about 4-Chlorocinnamic acid tert-butyl ester 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: 99.0%

bromoacetic acid tert-butyl ester (5292-43-3) + 4-chlorobenzaldehyde (104-88-1) → tert-butyl (E)-3-(4-chlorophenyl)prop-2-enoate (125950-99-4)

Guidance literature:

With BuTe-PEG-TeBu; potassium carbonate; sodium hydrogensulfite; In tetrahydrofuran; for 24h; Heating;

DOI:10.1021/jo049701v

Reference yield: 96.0%

bromochlorobenzene (106-39-8) + tert-Butyl acrylate (1663-39-4,25232-27-3) → tert-butyl (E)-3-(4-chlorophenyl)prop-2-enoate (125950-99-4)

Guidance literature:

With sodium acetate; In PEG-400; water; at 80 ℃; for 24h; Atmospheric conditions;

DOI:10.1016/j.tet.2010.10.062

Reference yield: 94.0%

1-Chloro-4-iodobenzene (637-87-6) + tert-Butyl acrylate (1663-39-4,25232-27-3) → tert-butyl (E)-3-(4-chlorophenyl)prop-2-enoate (125950-99-4)

Guidance literature:

With dicyclohexylmethylamine; 1-(4-hydroxyphenyl)ethanone oxime; In water; for 3h; Heating;

DOI:10.1021/jo0502551

upstream raw materials:

tert-butyl 2-chloro-3-(4-chlorophenyl)-3-hydroxypropanoate

bromoacetic acid tert-butyl ester

4-chlorobenzaldehyde

bromochlorobenzene

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 125950-99-4 2-Propenoic acid, 3-(4-chlorophenyl)-, 1,1-dimethylethyl ester, (2E)-

Send

Send

Metric Ton KG G Pound L ML

Send

Send