tert-butyl (E)-3-phenylprop-2-enoate

Base Information

• Chemical Name: tert-butyl (E)-3-phenylprop-2-enoate
• CAS No.: 14990-09-1
• Molecular Formula: C13H16 O2
• Molecular Weight: 204.269
• Hs Code.: 2916399090
• NSC Number: 406319
• Nikkaji Number: J363.470A,J554.277D
• Mol file: 14990-09-1.mol

Synonyms:tert-butyl cinnamate

Chemical Property of tert-butyl (E)-3-phenylprop-2-enoate

Chemical Property:

• Vapor Pressure: 0.002mmHg at 25°C
• Boiling Point: 290.8°Cat760mmHg
• Flash Point: 150.7°C
• PSA: 26.30000
• Density: 1.021g/cm³
• LogP: 3.04150
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 204.115029749
• Heavy Atom Count: 15
• Complexity: 229

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of tert-butyl (E)-3-phenylprop-2-enoate

There total 184 articles about tert-butyl (E)-3-phenylprop-2-enoate 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%

iodobenzene (591-50-4) + tert-Butyl acrylate (1663-39-4,25232-27-3) → tert-butyl cinnamate (14990-09-1)

Guidance literature:

With triethylamine; palladium; In N,N-dimethyl acetamide; at 100 ℃; for 24h;

DOI:10.1139/V06-076

Reference yield: 99.0%

iodobenzene (591-50-4) + tert-Butyl acrylate (1663-39-4,25232-27-3) → tert-butyl cinnamate (14990-09-1)

Guidance literature:

With C₆₄H₅₂N₆O₆Pd₂; sodium acetate; In N,N-dimethyl-formamide; at 140 ℃; for 20h; Inert atmosphere;

DOI:10.1055/s-2008-1067199

Reference yield: 99.0%

bromobenzene (108-86-1,52753-63-6) + tert-Butyl acrylate (1663-39-4,25232-27-3) → tert-butyl cinnamate (14990-09-1)

Guidance literature:

With {1,3-bis[2,6-bis(propan-2-yl)phenyl]-1,3-dihydro-2H-imidazol-2-ylidene}dichloro(pyridine)palladium; caesium carbonate; In neat (no solvent); at 100 ℃; for 12h;

DOI:10.1080/00397911.2021.1919711

upstream raw materials:

Cinnamoyl chloride

tert-butyl alcohol

cinnamoyl chloride

tert-butyl (trimethylsilyl)acetate

Downstream raw materials:

5-oxo-2,3-diphenyl-cyclopentanecarboxylic acid tert-butyl ester

N-phenylcinnamamide

(2S,3S,3aS)-3-Phenyl-hexahydro-pyrrolo[1,2-b]isoxazole-2-carboxylic acid methyl ester

(2R,3R,3aS)-2-Phenyl-hexahydro-pyrrolo[1,2-b]isoxazole-3-carboxylic acid methyl ester