2,2-Dimethylpropiophenone

Base Information

• Chemical Name: 2,2-Dimethylpropiophenone
• CAS No.: 938-16-9
• Molecular Formula: C11H14 O
• Molecular Weight: 162.232
• Hs Code.: 2914399090
• European Community (EC) Number: 213-338-0
• UNII: 96BA178UNX
• DSSTox Substance ID: DTXSID1048209
• Nikkaji Number: J121.149H
• Wikidata: Q27271899
• ChEMBL ID: CHEMBL479495
• Mol file: 938-16-9.mol

Synonyms:2,2-Dimethylpropiophenone;938-16-9;Pivalophenone;2,2-dimethyl-1-phenylpropan-1-one;2,2,2-Trimethylacetophenone;1-Propanone, 2,2-dimethyl-1-phenyl-;Phenyl tert-butyl ketone;tert-Butyl Phenyl ketone;UNII-96BA178UNX;AI3-11505;96BA178UNX;2,2-Dimethylpropiophenone 98%;DTXSID1048209;EINECS 213-338-0;MFCD00008844;.alpha.,.alpha.-Dimethylpropiophenone;2,2-dimethyl-1-phenyl-propan-1-one;t-BuBz;t-butyl phenyl ketone;SCHEMBL226691;CHEMBL479495;DTXCID3028184;2,2-Dimethylpropiophenone, 98%;Tox21_303564;2,2-Dimethyl-1-phenyl-1-propanone;1-Propanone,2,2-dimethyl-1-phenyl-;AKOS009157738;5-METHYL-5-NITRO-HEXAN-2-OL;NCGC00257286-01;AI311505;AS-61168;CAS-938-16-9;AI3 11505;CS-0089440;FT-0622081;EN300-49138;D97414;A844714;Q27271899

Chemical Property of 2,2-Dimethylpropiophenone

Chemical Property:

• Vapor Pressure: 0.116mmHg at 25°C
• Refractive Index: n20/D 1.508(lit.)
• Boiling Point: 220°Cat760mmHg
• Flash Point: 86°C
• PSA: 17.07000
• Density: 0.951g/cm³
• LogP: 2.91540
• Water Solubility.: Not miscible with water.
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 162.104465066
• Heavy Atom Count: 12
• Complexity: 158

Purity/Quality:

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

2,2-Dimethylpropiophenone ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 2,2-Dimethylpropiophenone

There total 188 articles about 2,2-Dimethylpropiophenone 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: 92.0%

(3,3-dimethylbut-1-en-2-yl)benzene (5676-29-9) → 2,2,2-trifluoroethanol (75-89-8) + 2,2,2-Trifluoroacetaldehyde (75-90-1) + 2,2-dimethylpropiophenone (938-16-9)

Guidance literature:

With Togni's reagent; C₁₄H₁₆Br₂NO₅V; In acetone; for 192h;

Reference yield: 92.0%

Togni's reagent (887144-97-0) + (3,3-dimethylbut-1-en-2-yl)benzene (5676-29-9) → 2,2,2-trifluoroethanol (75-89-8) + 2,2,2-Trifluoroacetaldehyde (75-90-1) + 2,2-dimethylpropiophenone (938-16-9)

Guidance literature:

With oxygen; C₁₄H₁₆Br₂NO₅V; In acetone; for 192h;

Reference yield: 81.0%

acetophenone (98-86-2) + methyl iodide (74-88-4) → 2,2-dimethylpropiophenone (938-16-9) + phenyl isopropyl ketone (611-70-1)

Guidance literature:

With potassium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; In toluene; for 24h; Yields of byproduct given; Ambient temperature;

upstream raw materials:

phthalic anhydride

ethyl 3-hydroxy-4,4-dimethyl-3-phenylpentanoate

tert-butyl isocyanide

2,2-dimethylpropionamide

Downstream raw materials:

Trimethylacetic acid

1-tert-butyl-1,3-diphenyl-2-propyn-1-ol

3-phenyl-2,2-dimethylpentan-3-ol

3,3-dimethyl-2-phenyl-butan-2-ol

Refernces

• 1、 Wang, Chang-An,Rahman, Md. Mahbubur,Bisz, Elwira,Dziuk, B?az?ej,Szostak, Roman,Szostak, Michal. "Palladium-NHC (NHC = N-heterocyclic Carbene)-Catalyzed Suzuki-Miyaura Cross-Coupling of Alkyl Amides". . p. 2426 - 2433. Retrieved 2022/02/17.
• 2、 -. "METHOD FOR OXIDATIVE CLEAVAGE OF COMPOUNDS WITH UNSATURATED DOUBLE BOND". Paragraph 0071; 0074. . Retrieved 2021/07/10.