4'-(tert-Butyl)propiophenone

Base Information

• Chemical Name: 4'-(tert-Butyl)propiophenone
• CAS No.: 71209-71-7
• Molecular Formula: C13H18O
• Molecular Weight: 190.285
• Hs Code.: 2914399090
• European Community (EC) Number: 275-265-0
• DSSTox Substance ID: DTXSID50221405
• Nikkaji Number: J308.753K
• Mol file: 71209-71-7.mol

Synonyms:4'-tert-Butylpropiophenone;71209-71-7;4'-(tert-Butyl)propiophenone;1-(4-tert-butylphenyl)propan-1-one;4-TERT-BUTYLPROPIOPHENONE;1-Propanone,1-[4-(1,1-dimethylethyl)phenyl]-;EINECS 275-265-0;1-(4-tert-butyl-phenyl)-propan-1-one;butylpropiophenone;4-tert.-Butylpropiophenon;p-tert-butyl propiophenone;p-tert.-butyl-propiophenone;4-tert-Butylpropionylbenzene;4\'-tert-Butylpropiophenone;SCHEMBL965418;DTXSID50221405;WCA20971;MFCD00100434;STK397559;AKOS000157965;1-(4-(Tert-butyl)phenyl)propan-1-one;1-(4-tert-Butylphenyl)-1-propanone #;B1609;CS-0322579;FT-0607143;N12195;1-Propanone, 1-[4-(1,1-dimethylethyl)phenyl]-;W-104531

Chemical Property of 4'-(tert-Butyl)propiophenone

Chemical Property:

• Refractive Index: 1.5160-1.5190
• Boiling Point: 277.9 °C at 760 mmHg
• Flash Point: 112.3 °C
• PSA: 17.07000
• Density: 0.932g/cm³
• LogP: 3.57680
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 190.135765193
• Heavy Atom Count: 14
• Complexity: 192

Purity/Quality:

98%,99%, ^*data from raw suppliers

4''-tert-Butylpropiophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4'-(tert-Butyl)propiophenone

There total 18 articles about 4'-(tert-Butyl)propiophenone 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: 91.0%

ethene (74-85-1) + 4-(1,1-dimethylethyl)benzoic acid (98-73-7) → p-tert-butylpropiophenone (71209-71-7)

Guidance literature:

With (1,2-dimethoxyethane)dichloronickel(II); 5, 6-dimethyl-1,10-phenanthroline; [4,4′-bis(1,1-dimethylethyl)-2,2′-bipyridine-N1,N1′]bis{3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-κN]phenyl-κC}iridium(III) hexafluorophosphate; N-ethyl-N,N-diisopropylamine; triphenylphosphine; In acetonitrile; at 20 ℃; for 2h; under 760.051 Torr; Irradiation; Inert atmosphere; Sealed tube; Schlenk technique;

DOI:10.1039/d1cc04188f

Reference yield: 90.0%

1-(4-tert-butylphenyl)propan-1-ol (127896-25-7) → p-tert-butylpropiophenone (71209-71-7)

Guidance literature:

With PE-N-oxyl; sodium hydrogencarbonate; sodium bromide; at 5 ℃; Electrolysis;

Reference yield: 90.0%

triethyl borane (97-94-9) + 4-tert-butylbenzoic acid phenyl ester (26459-51-8) → p-tert-butylpropiophenone (71209-71-7)

Guidance literature:

With bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; caesium carbonate; tricyclohexylphosphine; In hexane; toluene; at 60 ℃; for 16h; chemoselective reaction; Sealed tube; Glovebox;

DOI:10.1021/jacs.7b12865

upstream raw materials:

tert-butylbenzene

propionyl chloride

α-chloro-4-t-butylpropiophenone

1-(4-tert-butylphenyl)propan-1-ol

Downstream raw materials:

3-(4-tert-butyl-phenyl)-2-methyl-pentan-3-ol

3-(4-tert-Butylphenyl)-5-methyl-3-hexanol

1-(4-tert-butylphenyl)propan-1-ol

(+/-)-2-(4-tert-butylphenyl)propionic acid methyl ester