tert-Butyl 2-phenylpropionate

Base Information

• Chemical Name: tert-Butyl 2-phenylpropionate
• CAS No.: 2901-11-3
• Molecular Formula: C13H18 O2
• Molecular Weight: 206.285
• European Community (EC) Number: 220-791-8
• NSC Number: 42893
• Nikkaji Number: J306.826I
• Mol file: 2901-11-3.mol

Synonyms:tert-butyl 2-phenylpropanoate;2901-11-3;tert-Butyl 2-phenylpropionate;SCHEMBL2289610;NSC42893;EINECS 220-791-8;NSC 42893;NSC-42893;AKOS015155631;2-Phenylpropionic acid tert-butyl ester;2-PHENYL-PROPIONIC ACID TERT-BUTYL ESTER

Chemical Property of tert-Butyl 2-phenylpropionate

Chemical Property:

• Vapor Pressure: 0.0132mmHg at 25°C
• Boiling Point: 259.1°C at 760 mmHg
• Flash Point: 92.5°C
• PSA: 26.30000
• Density: 0.986g/cm³
• LogP: 3.13180
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 206.130679813
• Heavy Atom Count: 15
• Complexity: 209

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of tert-Butyl 2-phenylpropionate

There total 17 articles about tert-Butyl 2-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: 100.0%

bromobenzene (108-86-1,52753-63-6) + CH3CH(ZnBr)CO2C(CH3)3*OC4H8 (93891-72-6) → ester tertiobutylique de l'acide phenyl-2 propionique (2901-11-3)

Guidance literature:

With monophosphine 1,2,3,4,5-pentaphenyl-1'-(di-tert-butylphosphino)ferrocene; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In tetrahydrofuran; at 20 ℃; for 4h; Reagent/catalyst; Concentration; Temperature; Inert atmosphere; Sealed tube;

DOI:10.1021/jo401476f

Reference yield: 94.0%

tert-butyl propionate (20487-40-5) + chlorobenzene (108-90-7) → ester tertiobutylique de l'acide phenyl-2 propionique (2901-11-3)

Guidance literature:

tert-butyl propionate; With sodium hexamethyldisilazane; In toluene; at 20 ℃; for 0.166667h; Inert atmosphere;

chlorobenzene; With di-μ-bromobis(tri-tert-butylphosphino)dipalladium(I); In toluene; at 20 ℃; for 4h; Inert atmosphere;

DOI:10.1021/ol800258u

Reference yield: 92.0%

tert-butyl 2-lithiopropionate → ester tertiobutylique de l'acide phenyl-2 propionique (2901-11-3)

Guidance literature:

With N,N,N,N,N,N-hexamethylphosphoric triamide; iodine; In tetrahydrofuran; at 0 ℃; for 0.5h;

DOI:10.1016/S0022-328X(00)87434-3

upstream raw materials:

bromobenzene

tert-butyl propionate

iodobenzene

tert-Butyl 2,2,2-trichloroacetimidate

Downstream raw materials:

(E)-2-Methyl-4-nitro-2-phenyl-but-3-enoic acid tert-butyl ester

tert-butyl 2-methyl-2-phenylpropionate

(RS)-2-phenyl-1-propanol

(S)-2-Phenylpropionic acid