1,3-Butanedione, 1-[4-(1-methylethyl)phenyl]-

Base Information

Chemical Name:1,3-Butanedione, 1-[4-(1-methylethyl)phenyl]-
CAS No.:29681-96-7
Molecular Formula:C13H16O2
Molecular Weight:204.269
Hs Code.:
DSSTox Substance ID:DTXSID30359311
Wikidata:Q82140476
Mol file:29681-96-7.mol

Synonyms:1,3-Butanedione, 1-[4-(1-methylethyl)phenyl]-;29681-96-7;SCHEMBL11369541;DTXSID30359311;AKOS008967774;1-[4-(propan-2-yl)phenyl]butane-1,3-dione;1,3-Butanedione,1-[4-(1-methylethyl)phenyl]-;EN300-1126227;SR-01000268269;SR-01000268269-1

Suppliers and Price of 1,3-Butanedione, 1-[4-(1-methylethyl)phenyl]-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Total 0 raw suppliers

Chemical Property of 1,3-Butanedione, 1-[4-(1-methylethyl)phenyl]-

Chemical Property:

XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:204.115029749
Heavy Atom Count:15
Complexity:235

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 1,3-Butanedione, 1-[4-(1-methylethyl)phenyl]-

There total 2 articles about 1,3-Butanedione, 1-[4-(1-methylethyl)phenyl]- 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: 63.0%

: 645-13-6
4-isopropylacetophenone

: 141-78-6
ethyl acetate

: 29681-96-7
1-(4-isopropylphenyl)butane-1,3-dione

Guidance literature:: With sodium hydride; at 0 - 20 ℃; for 12h;
DOI:10.1002/adsc.202100228

Reference yield:

: 29681-96-7
1-(4-isopropylphenyl)butane-1,3-dione

Guidance literature:: Cumol, entspr. Diketen, Fluorwasserstoffsaeure;

Reference yield: 91.0%

: (hydrotris(3-p-isopropylphenyl-5-methylpyrazolyl)borato)hydroxyzinc

: 29681-96-7
1-(4-isopropylphenyl)butane-1,3-dione

: (hydrotris-(3-cumyl,5-methyl-pyrazolyl)borate)Zn(cumoylacetonate)

Guidance literature:: In dichloromethane; equimolar amts., stirring for 2 h; EtOH addn., vol. reduction (vac.), evapn. in absence of moisture (24 h),collection (filtration), drying (vac.);