5-(2-Chloroacetyl)-2,2-dimethyl-1,3-dioxane-4,6-dione

Base Information

Chemical Name:5-(2-Chloroacetyl)-2,2-dimethyl-1,3-dioxane-4,6-dione
CAS No.:505048-19-1
Molecular Formula:C8H9ClO5
Molecular Weight:220.609
Hs Code.:2934999090
DSSTox Substance ID:DTXSID20363068
Wikidata:Q82146622
Mol file:505048-19-1.mol

Synonyms:505048-19-1;5-(2-chloroacetyl)-2,2-dimethyl-1,3-dioxane-4,6-dione;DTXSID20363068;AKOS005091060;3X-5070

Suppliers and Price of 5-(2-Chloroacetyl)-2,2-dimethyl-1,3-dioxane-4,6-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

American Custom Chemicals Corporation
5-(2-CHLOROACETYL)-2,2-DIMETHYL-1,3-DIOXANE-4,6-DIONE 95.00%
5MG
$ 687.35

American Custom Chemicals Corporation
5-(2-CHLOROACETYL)-2,2-DIMETHYL-1,3-DIOXANE-4,6-DIONE 95.00%
10MG
$ 679.14

American Custom Chemicals Corporation
5-(2-CHLOROACETYL)-2,2-DIMETHYL-1,3-DIOXANE-4,6-DIONE 95.00%
1MG
$ 647.61

Total 1 raw suppliers

Chemical Property of 5-(2-Chloroacetyl)-2,2-dimethyl-1,3-dioxane-4,6-dione

Chemical Property:

Boiling Point:456.5±45.0 °C(Predicted)
PKA:8.15±0.40(Predicted)
PSA：69.67000
Density:1.356±0.06 g/cm3(Predicted)
LogP:0.24660
XLogP3:1.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:220.0138511
Heavy Atom Count:14
Complexity:276

Purity/Quality:: 5-(2-CHLOROACETYL)-2,2-DIMETHYL-1,3-DIOXANE-4,6-DIONE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1(OC(=O)C(C(=O)O1)C(=O)CCl)C

Technology Process of 5-(2-Chloroacetyl)-2,2-dimethyl-1,3-dioxane-4,6-dione

There total 1 articles about 5-(2-Chloroacetyl)-2,2-dimethyl-1,3-dioxane-4,6-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: 93.0%

: 2033-24-1
cycl-isopropylidene malonate

: 79-04-9
chloroacetyl chloride

: 505048-19-1
5-(2-chloroacetyl)-2,2-dimethyl-1,3-dioxane-4,6-dione

Guidance literature:: With pyridine; In dichloromethane; at -5 - 25 ℃; for 3h;
DOI:10.1081/SCC-120014984

Reference yield:

: 505048-19-1
5-(2-chloroacetyl)-2,2-dimethyl-1,3-dioxane-4,6-dione

: 18719-42-1
diethyl 2-chloroethylmalonate

Guidance literature:: Multi-step reaction with 2 steps

1: 56.1 percent / NaBH₄ / acetic acid / 1 h / 20 °C

2: aq. HCl / Heating

With hydrogenchloride; sodium tetrahydroborate; In acetic acid;
DOI:10.1081/SCC-120014984