5,5-Dimethyl-1,3-dioxane-2-propionaldehyde

Base Information

Chemical Name:5,5-Dimethyl-1,3-dioxane-2-propionaldehyde
CAS No.:58697-03-3
Molecular Formula:C9H16 O3
Molecular Weight:172.224
Hs Code.:2932999099
European Community (EC) Number:261-395-5
UNII:WZX3Q35QJ2
DSSTox Substance ID:DTXSID20207392
Nikkaji Number:J297.006F
Wikidata:Q72469827
Mol file:58697-03-3.mol

Synonyms:58697-03-3;3-(5,5-dimethyl-1,3-dioxan-2-yl)propanal;5,5-Dimethyl-1,3-dioxane-2-propionaldehyde;1,3-Dioxane-2-propanal, 5,5-dimethyl-;5,5-dimethyl-1,3-dioxane-2-propanal;EINECS 261-395-5;WZX3Q35QJ2;UNII-WZX3Q35QJ2;SCHEMBL5071835;DTXSID20207392;AKOS015900860;5,5-dimethyl-1,3-dioxane-2-propanaldehyde;FT-0715492;A25146;3-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-propanal

Suppliers and Price of 5,5-Dimethyl-1,3-dioxane-2-propionaldehyde

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

Crysdot
3-(5,5-Dimethyl-1,3-dioxan-2-yl)propanal 95+%
1g
$ 673.00

Chemenu
3-(5,5-dimethyl-1,3-dioxan-2-yl)propanal 95%
1g
$ 636.00

Alichem
3-(5,5-Dimethyl-1,3-dioxan-2-yl)propanal
1g
$ 734.40

Total 10 raw suppliers

Chemical Property of 5,5-Dimethyl-1,3-dioxane-2-propionaldehyde

Chemical Property:

Vapor Pressure:0.0412mmHg at 25°C
Boiling Point:239°Cat760mmHg
Flash Point:88.8°C
PSA：35.53000
Density:0.965g/cm³
LogP:1.36460
XLogP3:0.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:172.109944368
Heavy Atom Count:12
Complexity:144

Purity/Quality:

97% ^*data from raw suppliers

3-(5,5-Dimethyl-1,3-dioxan-2-yl)propanal 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 5,5-Dimethyl-1,3-dioxane-2-propionaldehyde

There total 6 articles about 5,5-Dimethyl-1,3-dioxane-2-propionaldehyde 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: 92.0%

: 13260-75-8
5,5-dimethyl-2-vinyl-1,3-dioxane

syngas: syngas

: (R)-2-(5,5-dimethyl-1,3-dioxan-2-yl)propanal

: 58697-03-3
3-(5,5-dimethyl-1,3-dioxanyl)-propionaldehyde

Guidance literature:: With (acetylacetonato)dicarbonylrhodium (l); (+)-1,2-bis((2S,5S)-2,5-diphenylphospholanyl)ethane; In toluene; at 80 ℃; for 5h; under 7757.43 Torr; enantioselective reaction;
DOI:10.1021/acs.orglett.5b01421

Reference yield: 71.0%

: 14618-78-1
4,4-dimethoxybutanenitrile

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

: 58697-03-3
3-(5,5-dimethyl-1,3-dioxanyl)-propionaldehyde

Guidance literature:: 4,4-dimethoxybutanenitrile; 2,2-Dimethyl-1,3-propanediol; With toluene-4-sulfonic acid; In toluene; at 110 ℃; for 1h; Inert atmosphere;

With diisobutylaluminium hydride; In hexane; dichloromethane; at -78 ℃; for 2h; Inert atmosphere;
DOI:10.1021/ja202900h