1-Phenylethyl 2-methylbutyrate

Base Information

Chemical Name:1-Phenylethyl 2-methylbutyrate
CAS No.:87708-44-9
Molecular Formula:C₁₃H₁₈O₂
Molecular Weight:206.285
Hs Code.:
European Community (EC) Number:289-334-8
DSSTox Substance ID:DTXSID201007766
Nikkaji Number:J334.010D
Mol file:87708-44-9.mol

Synonyms:1-Phenylethyl 2-methylbutyrate;87708-44-9;EINECS 289-334-8;1-phenylethyl 2-methylbutanoate;SCHEMBL872787;DTXSID201007766;AKOS017177095;2-Methylbutanoic acid 1-phenylethyl ester

Suppliers and Price of 1-Phenylethyl 2-methylbutyrate

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 6 raw suppliers

Chemical Property of 1-Phenylethyl 2-methylbutyrate

Chemical Property:

Vapor Pressure:0.0112mmHg at 25°C
Boiling Point:262°C at 760 mmHg
Flash Point:94.5°C
PSA：26.30000
Density:0.985g/cm³
LogP:3.33690
XLogP3:3.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:206.130679813
Heavy Atom Count:15
Complexity:195

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC(C)C(=O)OC(C)C1=CC=CC=C1

Technology Process of 1-Phenylethyl 2-methylbutyrate

There total 4 articles about 1-Phenylethyl 2-methylbutyrate 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:

: 90731-30-9
1-phenylethyl (E)-α-methylcrotonate

: 87708-44-9,108056-52-6,108056-53-7
(S)-2-Methyl-butyric acid 1-phenyl-ethyl ester

Guidance literature:: With [(D)*Ir(1,4-cyclooctadiene)]⁺[tetrakis(3,5-bis(trifluoromethyl)phenyl)borate]^-; hydrogen; In dichloromethane; at 20 ℃; for 15h; under 15001.5 Torr; enantioselective reaction; Inert atmosphere;
DOI:10.1002/chem.201200907

Reference yield:

: 90731-30-9
1-phenylethyl (E)-α-methylcrotonate

: 87708-44-9,108056-52-6,108056-53-7
(R)-2-Methyl-butyric acid 1-phenyl-ethyl ester

: 87708-44-9,108056-52-6,108056-53-7
(S)-2-Methyl-butyric acid 1-phenyl-ethyl ester

Guidance literature:: With 1-Phenylethanol; 3>; In diphenylether; at 140 - 200 ℃; Product distribution; Kinetics; Thermodynamic data; dependence of hydrogenation on temperature, time, concentration of catalyst, alcohol and substrate; Ea, ΔH(excit.), ΔS(excit.); examination of further esters;

Reference yield:

: 90731-30-9
1-phenylethyl (E)-α-methylcrotonate

: 87708-44-9,108056-52-6,108056-53-7
(R)-2-Methyl-butyric acid 1-phenyl-ethyl ester

: 87708-44-9,108056-52-6,108056-53-7
(S)-2-Methyl-butyric acid 1-phenyl-ethyl ester

Guidance literature:: With 1-Phenylethanol; 3>; In diphenylether; at 140 - 200 ℃; Product distribution; Kinetics; Thermodynamic data; dependence of hydrogenation on temperature, time, concentration of catalyst, alcohol and substrate; Ea, ΔH(excit.), ΔS(excit.); examination of further esters;