2-Propenoic acid, 3-phenyl-, propyl ester

Base Information

• Chemical Name: 2-Propenoic acid, 3-phenyl-, propyl ester
• CAS No.: 7778-83-8
• Molecular Formula: C12H14O2
• Molecular Weight: 190.242
• Hs Code.: 2916399090
• Mol file: 7778-83-8.mol

Synonyms:2-Propenoic acid, 3-phenyl-, propyl ester;Zimtsaurepropylester;AKOS017265240;FT-0623833

Chemical Property of 2-Propenoic acid, 3-phenyl-, propyl ester

Chemical Property:

• Appearance/Colour: Colorless,Viscous Liquid,Cold case when curing formed crystals
• Vapor Pressure: 0.00268mmHg at 25°C
• Refractive Index: 1.5530
• Boiling Point: 286.2 °C at 760 mmHg
• Flash Point: 156.1 °C
• PSA: 26.30000
• Density: 1.037 g/cm³
• LogP: 2.65300
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 190.099379685
• Heavy Atom Count: 14
• Complexity: 191

Purity/Quality:

97% ^*data from raw suppliers

Propylcinnamate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): N
• Hazard Codes: N
• Statements: 51/53
• Safety Statements: 24/25-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOC(=O)C=CC1=CC=CC=C1
• Uses: Propyl cinnamate is used as an insect repellant.

Technology Process of 2-Propenoic acid, 3-phenyl-, propyl ester

There total 16 articles about 2-Propenoic acid, 3-phenyl-, propyl 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: 95.0%

propan-1-ol (71-23-8) + allylbenzene (300-57-2,57807-91-7) → cinnamic acid propyl ester (7778-83-8)

Guidance literature:

With water; oxygen; palladium diacetate; In N,N-dimethyl acetamide; at 100 ℃; for 24h; under 760.051 Torr; chemoselective reaction; Schlenk technique;

DOI:10.1039/c5cc02277k

Reference yield: 91.0%

propan-1-ol (71-23-8) + methyl cinnamate (103-26-4,1754-62-7) → cinnamic acid propyl ester (7778-83-8)

Guidance literature:

iodine; for 20h; Heating;

DOI:10.1016/S0040-4039(01)02235-3

Reference yield: 88.0%

1-Chloropropane (540-54-5) + Cinnamic acid (621-82-9) → cinnamic acid propyl ester (7778-83-8)

Guidance literature:

With 1,1'-(hexane-1,6-diyl)bis(1,8-diazabicyclo[5.4.0]undec-7-enium) dichlorine; In ethanol; water; at 70 ℃; for 2.2h; Green chemistry;

DOI:10.1007/s10562-017-2184-4

upstream raw materials:

propan-1-ol

Cinnamic acid

methyl cinnamate

butan-1-ol

Downstream raw materials:

n-propyl 3-phenylpropionate

C₁₂H₁₃N₃O₂

propyl 4-phenyl-3-(p-tolyl)isoxazole-5-carboxylate

n-butyl cinnamate