2,2,6-Trimethyl-4H-1,3-dioxin-4-one

Base Information Edit

Chemical Name:2,2,6-Trimethyl-4H-1,3-dioxin-4-one
CAS No.:5394-63-8
Molecular Formula:C7H10O3
Molecular Weight:142.155
Hs Code.:29329995
European Community (EC) Number:226-403-3
NSC Number:2391
DSSTox Substance ID:DTXSID10202230
Nikkaji Number:J209.020A
Wikidata:Q72514041
Mol file:5394-63-8.mol

Synonyms:2,2,6-Trimethyl-4H-1,3-dioxin-4-one;5394-63-8;2,2,6-Trimethyl-1,3-dioxin-4-one;2,2,4-Trimethyl-6-keto-1,3-dioxin;MFCD00040468;2,2,6-trimethyl-2,4-dihydro-1,3-dioxin-4-one;EINECS 226-403-3;2,2,6-Trimethyl-1,3-dioxen-4-one;2,2,6-trimethyl-[1,3]dioxin-4-one;4H-1,3-Dioxin-4-one, 2,2,6-trimethyl-;EC 226-403-3;NSC2391;SCHEMBL218538;AMY285;DTXSID10202230;2,2,6-Trimethyl-1,3-dioxolenone;BCP28867;NSC 2391;NSC-2391;AKOS000120979;CS-W016430;PB43012;2,2,4-Trimethyl-6-keto-1,3-dioxine;2,2,6-trimethyl-[1,3] dioxin-4-one;SY011109;2,2,6-trimethyl4H-1, 3-dioxin-4-one;2,2,6-trimethyl-4H-1,3-dioxine-4-one;2,2-dimethyl-6-methyl-1,3-dioxin-4-one;FT-0609133;T1099;EN300-20790;P17112;2,4-TRIMETHYL-1,3-DIOX-4-ENE-6-ONE;2,2,6-Trimethyl-4H-1,3-dioxin-4-one, 95%;F0001-1405;2,2,6-Trimethyl-4H-1,3-dioxin-4-one, Lonza quality, >=93.0% (GC)

Suppliers and Price of 2,2,6-Trimethyl-4H-1,3-dioxin-4-one

Supply Marketing:Edit

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

Usbiological
2,2,6-Trimethyl-4H-1,3-dioxin-4-one
10g
$ 319.00

TRC
2,2,6-Trimethyl-4H-1,3-dioxin-4-one
100g
$ 105.00

TCI Chemical
2,2,6-Trimethyl-1,3-dioxin-4-one >95.0%(NMR)
25mL
$ 39.00

TCI Chemical
2,2,6-Trimethyl-1,3-dioxin-4-one >95.0%(NMR)
500mL
$ 168.00

SynQuest Laboratories
2,2,6-Trimethyl-1,3-dioxin-4-one 94%
500 g
$ 352.00

SynQuest Laboratories
2,2,6-Trimethyl-1,3-dioxin-4-one 94%
100 g
$ 144.00

Sigma-Aldrich
2,2,6-Trimethyl-4H-1,3-dioxin-4-one 95%
100g
$ 92.60

Sigma-Aldrich
2,2,6-Trimethyl-4H-1,3-dioxin-4-one Lonza quality, ≥93.0% (GC)
1kg
$ 428.00

Sigma-Aldrich
2,2,6-Trimethyl-4H-1,3-dioxin-4-one Lonza quality, ≥93.0% (GC)
180kg
$ 8470.00

Sigma-Aldrich
2,2,6-Trimethyl-4H-1,3-dioxin-4-one Lonza quality, ≥93.0% (GC)
25kg
$ 2610.00

Total 91 raw suppliers

Chemical Property of 2,2,6-Trimethyl-4H-1,3-dioxin-4-one Edit

Chemical Property:

Appearance/Colour:Dark brown liquid
Vapor Pressure:0.119mmHg at 25°C
Melting Point:12-13 °C(lit.)
Refractive Index:n20/D 1.460(lit.)
Boiling Point:219.5 °C at 760 mmHg
Flash Point:87 °C
PSA：35.53000
Density:1.055 g/cm³
LogP:1.19970
Storage Temp.:2-8°C
Solubility.:water: insoluble
Water Solubility.:practically insoluble
XLogP3:1.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:142.062994177
Heavy Atom Count:10
Complexity:191

Purity/Quality:

99.9% ^*data from raw suppliers

2,2,6-Trimethyl-4H-1,3-dioxin-4-one ^*data from reagent suppliers

Safty Information:

Pictogram(s): F,Xi
Hazard Codes:F,Xi
Statements: 11-36/37/38-36
Safety Statements: 16-26-27-36/37/39-9-33

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Chemical Classes:Other Classes -> Esters, Other
Canonical SMILES:CC1=CC(=O)OC(O1)(C)C
Description It is usually used as intermediate or raw material in the chemistry synthesis. For example, 2,2,6-Trimethyl-4H-1,3-dioxin-4-one can act as the starting material to produce N-alkenyl acetoacetamides through reaction with imines.1 This substance can also be involved in the preparation of acetoacetamide derivatives, which result in the formation of the pyrrole amides via oxime of the acetoacetamides.2 Moreover, this chemical may be introduced to promote the acetoacetylation of O-(hydroxypropyl)cellulose for generating O-(acetoxypropyl)cellulose.3 In addition, this chemical may be used to yield β-keto esters and β-ketoamides through the reaction with secondary or tertiary alcohols (including chiral ones) or primary or secondary amines.4
Uses Diketene-Acetone Adduct can be used in place of diketene in many reactions. As a transportable form of diketene, it is especially important in those countries, where the transportation of diketene is not allowed or at least not desired. 2,2,6-Trimethyl-1,3-dioxin-4-one is used in the synthesis of dihydropyrimininones as picomolar sodium iodide symporter inhibitors. It is also used in the synthesis of resorcinol amide Hsp90 Inhibitor AT13387. It is used in the synthesis of acetylketene by flash pyrolysis.

Technology Process of 2,2,6-Trimethyl-4H-1,3-dioxin-4-one

There total 15 articles about 2,2,6-Trimethyl-4H-1,3-dioxin-4-one 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%