4-tert-Butylcinnamic acid ethyl ester

Base Information

• Chemical Name: 4-tert-Butylcinnamic acid ethyl ester
• CAS No.: 158010-17-4
• Molecular Formula: C15H20O2
• Molecular Weight: 232.323
• ChEMBL ID: CHEMBL4872399
• DSSTox Substance ID: DTXSID601207178
• Nikkaji Number: J1.904.743A
• Mol file: 158010-17-4.mol

Synonyms:158010-17-4;4-tert-Butylcinnamic acid ethyl ester;Ethyl (E)-3-(4-(tert-butyl)phenyl)acrylate;2-Propenoic acid, 3-[4-(1,1-dimethylethyl)phenyl]-, ethyl ester, (2E)-;ethyl (E)-3-(4-tert-butylphenyl)prop-2-enoate;Ethyl (2E)-3-[4-(1,1-dimethylethyl)phenyl]-2-propenoate;starbld0011661;3-(4-tert-Butyl-phenyl)-acrylic acid ethyl ester;SCHEMBL4890740;CHEMBL4872399;PQOOCBARRHHHBD-DHZHZOJOSA-N;DTXSID601207178;(E)-ethyl 3-(4-tert-butylphenyl)acrylate;CS-0298732;EN300-1453827;ethyl (2E)-3-(4-tert-butylphenyl)prop-2-enoate

Chemical Property of 4-tert-Butylcinnamic acid ethyl ester

Chemical Property:

• PSA: 26.30000
• LogP: 3.56040
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 232.146329876
• Heavy Atom Count: 17
• Complexity: 265

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-tert-Butylcinnamic acid ethyl ester

There total 10 articles about 4-tert-Butylcinnamic acid ethyl 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: 100.0%

(4-tert-butylphenyl)diazonium tetrafluoroborate (52436-75-6) + ethyl acrylate (140-88-5,9003-32-1) → ethyl (E)-3-[4-(tert-butylphenyl)]-2-propenoate (158010-17-4)

Guidance literature:

With 1,6,11-triazacyclopentadeca-3,8,12-triene Pd; In ethanol; at 20 ℃; for 1h;

DOI:10.1021/ol034340b

Reference yield: 100.0%

ethyl (Z)-3-(4-tert-butylphenyl)propenoate (840526-81-0) → ethyl (E)-3-[4-(tert-butylphenyl)]-2-propenoate (158010-17-4)

Guidance literature:

With potassium phosphate; chloro(1,5-cyclooctadiene)rhodium(I) dimer; at 100 ℃; for 8h;

DOI:10.1002/anie.200903146

Reference yield: 99.0%

→ ethyl (E)-3-[4-(tert-butylphenyl)]-2-propenoate (158010-17-4)

Guidance literature:

With Grubbs ruthenium metathesis catalyst; In dichloromethane; for 15h; Reflux; Inert atmosphere;

upstream raw materials:

diethoxyphosphoryl-acetic acid ethyl ester

4-tert-Butylbenzaldehyde

ethyl (triphenylphosphoranylidene)acetate

(4-tert-butylphenyl)diazonium tetrafluoroborate

Downstream raw materials:

(E)-3-(4-(tert-butyl)phenyl)prop-2-en-1-ol

ethyl 3-(4-(tert-butyl)phenyl)propanoate

4-tert-butyl-trans-cinnamic acid

Ethyl 4-nitro-3-(4-tert-butylphenyl)pentanoate

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