Isobutyl 3-phenylpropionate

Base Information

Chemical Name:Isobutyl 3-phenylpropionate
CAS No.:28048-94-4
Molecular Formula:C13H18 O2
Molecular Weight:206.285
Hs Code.:2916399090
European Community (EC) Number:248-798-1
DSSTox Substance ID:DTXSID70182327
Nikkaji Number:J250.637H
Wikidata:Q83052991
Mol file:28048-94-4.mol

Synonyms:Isobutyl 3-phenylpropionate;Benzenepropanoic acid, 2-methylpropyl ester;28048-94-4;EINECS 248-798-1;Isobutyl 3-phenylpropanoate #;SCHEMBL3185725;Isobutyl-.beta.-phenylpropionate;Hydrocinnamic acid isobutyl ester;DTXSID70182327;3-Phenylpropionic acid, 2-methylpropyl ester

Suppliers and Price of Isobutyl 3-phenylpropionate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 5 raw suppliers

Chemical Property of Isobutyl 3-phenylpropionate

Chemical Property:

Vapor Pressure:0.00476mmHg at 25°C
Boiling Point:276.6°Cat760mmHg
Flash Point:104.4°C
PSA：26.30000
Density:0.988g/cm³
LogP:2.81840
XLogP3:3.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:206.130679813
Heavy Atom Count:15
Complexity:181

Purity/Quality:: 98%Min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)COC(=O)CCC1=CC=CC=C1

Technology Process of Isobutyl 3-phenylpropionate

There total 8 articles about Isobutyl 3-phenylpropionate 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%

: 78-83-1
2-methyl-propan-1-ol

: 501-52-0
3-Phenylpropionic acid

: 28048-94-4
2-methylpropyl 3-phenypropionate

Guidance literature:: With dmap; dicyclohexyl-carbodiimide; In dichloromethane;
DOI:10.1016/S0040-4020(01)85980-9

Reference yield: 92.0%

: 122-67-8
2-propenoic acid, 3-phenyl-, 2-methylpropyl ester

: 28048-94-4
2-methylpropyl 3-phenypropionate

Guidance literature:: With 2-(Aminomethyl)pyridine; bromopentacarbonylmanganese(I); potassium tert-butylate; hydrogen; In 1,4-dioxane; at 120 ℃; for 12h; under 22502.3 Torr; chemoselective reaction; Autoclave;
DOI:10.1016/j.apcata.2021.118280

Reference yield: 84.0%

: 110-19-0
2-methylpropyl acetate

: 100-51-6,185532-71-2
benzyl alcohol

: 28048-94-4
2-methylpropyl 3-phenypropionate

Guidance literature:: With C₁₅H₁₇ClIrNOP; potassium tert-butylate; In toluene; at 60 ℃; for 12h; Schlenk technique; Inert atmosphere; Glovebox;
DOI:10.1002/anie.201410293