4,4-Dimethyl-1-phenylpentane-1,3-dione

Base Information

Chemical Name:4,4-Dimethyl-1-phenylpentane-1,3-dione
CAS No.:13988-67-5
Molecular Formula:C13H16 O2
Molecular Weight:204.269
Hs Code.:2914399090
DSSTox Substance ID:DTXSID90343478
Nikkaji Number:J1.228.420I
Wikidata:Q82114820
Mol file:13988-67-5.mol

Synonyms:4,4-dimethyl-1-phenylpentane-1,3-dione;13988-67-5;1,3-Pentanedione, 4,4-dimethyl-1-phenyl-;CBMicro_020484;benzoylpivaloylmethane;SCHEMBL1434267;DTXSID90343478;2-(tert-butylcarbonyl)acetophenone;CCG-5095;MFCD00511275;1-(tert-Butyl)-3-phenylmalonaldehyde;AKOS009158831;AS-64774;BIM-0020565.P001;4,4-Dimethyl-1-phenyl-1,3-pentanedione #;CS-0360212;FT-0617079;1-Benzoylpinacolone alpha-Pivaloylacetophenone;AB00075434-01

Suppliers and Price of 4,4-Dimethyl-1-phenylpentane-1,3-dione

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

Matrix Scientific
4,4-Dimethyl-1-phenylpentane-1,3-dione
1g
$ 54.00

Atlantic Research Chemicals
4,4-Dimethyl-1-phenylpentane-1,3-dione 95%
5gm:
$ 53.02

Atlantic Research Chemicals
4,4-Dimethyl-1-phenylpentane-1,3-dione 95%
250mgs:
$ 14.14

American Custom Chemicals Corporation
4,4-DIMETHYL-1-PHENYLPENTANE-1,3-DIONE 95.00%
25G
$ 1314.62

American Custom Chemicals Corporation
4,4-DIMETHYL-1-PHENYLPENTANE-1,3-DIONE 95.00%
5G
$ 845.29

Alfa Aesar
4,4-Dimethyl-1-phenylpentane-1,3-dione, 99%
25g
$ 218.00

Alfa Aesar
4,4-Dimethyl-1-phenylpentane-1,3-dione, 99%
5g
$ 58.10

Total 9 raw suppliers

Chemical Property of 4,4-Dimethyl-1-phenylpentane-1,3-dione

Chemical Property:

Vapor Pressure:0.00125mmHg at 25°C
Refractive Index:1.5590
Boiling Point:298.7°Cat760mmHg
Flash Point:111.5°C
PSA：34.14000
Density:1.017g/cm³
LogP:2.87460
XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:204.115029749
Heavy Atom Count:15
Complexity:242

Purity/Quality:

99%, ^*data from raw suppliers

4,4-Dimethyl-1-phenylpentane-1,3-dione ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Safety Statements: 24/25

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 4,4-Dimethyl-1-phenylpentane-1,3-dione

There total 40 articles about 4,4-Dimethyl-1-phenylpentane-1,3-dione 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: 99.0%

: 98-86-2
acetophenone

: 26179-83-9
1-(1H-1,2,3-benzotriazol-1-yl)-2,2-dimethyl-1-propanone

: 13988-67-5
benzoylpivaloylmethane

Guidance literature:: With N-ethyl-N,N-diisopropylamine; magnesium bromide; In dichloromethane; for 4h;
DOI:10.1021/ol701599v

Reference yield: 96.0%

: 32398-67-7
4,4-dimethyl-1-phenyl-1-pentyn-3-one

: 13988-67-5
benzoylpivaloylmethane

Guidance literature:: With (triphenylphosphine)gold(I) chloride; water; silver trifluoromethanesulfonate; In methanol; at 25 ℃; for 12h;

Reference yield: 94.0%

: 3282-30-2
pivaloyl chloride

: 98-86-2
acetophenone

: 13988-67-5
benzoylpivaloylmethane

Guidance literature:: With magnesium bromide diethyl etherate; N-ethyl-N,N-diisopropylamine; In dichloromethane; for 12h; Inert atmosphere;
DOI:10.1021/acs.joc.9b00397