2-Carboxy-5,5-dimethyl-1,3-dioxane

Base Information

Chemical Name:2-Carboxy-5,5-dimethyl-1,3-dioxane
CAS No.:744220-87-9
Molecular Formula:C7H12 O4
Molecular Weight:160.16778
Hs Code.:
DSSTox Substance ID:DTXSID70465703
Wikidata:Q82291868
Mol file:744220-87-9.mol

Synonyms:2-Carboxy-5,5-dimethyl-1,3-dioxane;744220-87-9;SCHEMBL1595818;DTXSID70465703;SMPLFWZQSUQJGC-UHFFFAOYSA-N

Suppliers and Price of 2-Carboxy-5,5-dimethyl-1,3-dioxane

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
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Total 1 raw suppliers

Chemical Property of 2-Carboxy-5,5-dimethyl-1,3-dioxane

Chemical Property:

PSA：55.76000
LogP:0.47010
XLogP3:0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:160.07355886
Heavy Atom Count:11
Complexity:154

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(COC(OC1)C(=O)O)C

Technology Process of 2-Carboxy-5,5-dimethyl-1,3-dioxane

There total 1 articles about 2-Carboxy-5,5-dimethyl-1,3-dioxane 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: 73.0%

: 126-30-7
2,2-Dimethyl-1,3-propanediol

: 298-12-4
Glyoxilic acid

: 744220-87-9
5,5-dimethyl-1,3-dioxane-2-carboxylic acid

Guidance literature:: 2,2-Dimethyl-1,3-propanediol; Glyoxilic acid; With amberlyst-15; In benzene; for 15h; Heating;

With sodium hydroxide; In water; for 0.5h; Heating;
DOI:10.1021/jo049819b

Reference yield: 83.0%

: 6273-94-5
N-methyl-N-phenylacrylamide

: 744220-87-9
5,5-dimethyl-1,3-dioxane-2-carboxylic acid

: 3-(5,5-dimethyl-1,3-dioxan-2-yl)-N-methyl-N-phenylpropanamide

Guidance literature:: With dipotassium hydrogenphosphate; [4,4′-bis(1,1-dimethylethyl)-2,2′-bipyridine-N1,N1′]bis{3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-κN]phenyl-κC}iridium(III) hexafluorophosphate; In N,N-dimethyl-formamide; at 20 ℃; for 12h; Inert atmosphere; Schlenk technique; Irradiation;
DOI:10.1039/c7cc06252d

Reference yield:

: 744220-87-9
5,5-dimethyl-1,3-dioxane-2-carboxylic acid

: 744220-89-1
1-[(5,5-dimethyl-1,3-dioxan-2-yl)carbonyl]-5-phenyldipyrromethane

Guidance literature:: Multi-step reaction with 2 steps

1: triphenylphosphine / tetrahydrofuran / 24 h / 20 °C

2: 732 mg / EtMgBr / tetrahydrofuran / -78 - 20 °C

With ethylmagnesium bromide; triphenylphosphine; In tetrahydrofuran; 1: Mukaiyama reaction;
DOI:10.1021/jo049819b