4-(5,5-Dimethyl-1,3-dioxan-2-yl)butanal

Base Information

Chemical Name:4-(5,5-Dimethyl-1,3-dioxan-2-yl)butanal
CAS No.:127600-13-9
Molecular Formula:C10H18 O3
Molecular Weight:186.251
Hs Code.:2932999099
DSSTox Substance ID:DTXSID60370493
Nikkaji Number:J2.423.627G
Wikidata:Q82157647
Mol file:127600-13-9.mol

Synonyms:127600-13-9;4-(5,5-dimethyl-1,3-dioxan-2-yl)butanal;5,5-Dimethyl-1,3-dioxane-2-butanal;5,5-Dimethyl-2-butanal-1,3-dioxane;5,5-Dimethyl-2-(3-formylpropyl)-1,3-dioxane;SCHEMBL881423;5,5-DIMETHYL-2-(3'-FORMYLPROPYL)-1,3-DIOXANE;DTXSID60370493;KSKRSPYEXSAZRE-UHFFFAOYSA-N;CFA60013;MFCD02683076;AKOS024348839;5,5-dimethyl-2-butanal-1,3-dioxane, AldrichCPR

Suppliers and Price of 4-(5,5-Dimethyl-1,3-dioxan-2-yl)butanal

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
5,5-DIMETHYL-2-BUTANAL-1,3-DIOXANE 98.00%
50G
$ 3020.33

Alfa Aesar
5,5-Dimethyl-1,3-dioxane-2-butanal, 96%
10g
$ 162.00

Alfa Aesar
5,5-Dimethyl-1,3-dioxane-2-butanal, 96%
2.5g
$ 57.40

Total 13 raw suppliers

Chemical Property of 4-(5,5-Dimethyl-1,3-dioxan-2-yl)butanal

Chemical Property:

Refractive Index:1.4475-1.4495
Boiling Point:257.4°Cat760mmHg
Flash Point:100.1°C
PSA：35.53000
Density:0.955g/cm³
LogP:1.75470
Sensitive.:Air Sensitive
XLogP3:1.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:186.125594432
Heavy Atom Count:13
Complexity:156

Purity/Quality:

98%Min ^*data from raw suppliers

5,5-DIMETHYL-2-BUTANAL-1,3-DIOXANE 98.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi,Xn
Statements: 36/37/38-22
Safety Statements: 37/39-26

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 4-(5,5-Dimethyl-1,3-dioxan-2-yl)butanal

There total 4 articles about 4-(5,5-Dimethyl-1,3-dioxan-2-yl)butanal 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: 60.0%

: 127600-11-7
4-(5,5-Dimethyl-[1,3]dioxan-2-yl)-butan-1-ol

: 127600-13-9
4-(5,5-dimethyl-1,3-dioxanyl)butyraldehyde

Guidance literature:: With Collins oxidation agent; In dichloromethane; at 15 ℃; for 0.333333h;
DOI:10.1139/v90-022

Reference yield:

: 110-87-2
3,4-dihydro-2H-pyran

: 127600-13-9
4-(5,5-dimethyl-1,3-dioxanyl)butyraldehyde

Guidance literature:: Multi-step reaction with 2 steps

1: p-toluenesulfonic acid / toluene / 24 h / Heating

2: 60 percent / Collins reagent (from chromic oxide, pyridine) / CH₂Cl₂ / 0.33 h / 15 °C

With Collins oxidation agent; toluene-4-sulfonic acid; In dichloromethane; toluene;
DOI:10.1139/v90-022

Reference yield:

: 127600-12-8
4-(5,5-Dimethyl-[1,3]dioxan-2-yl)-butyric acid

: 127600-13-9
4-(5,5-dimethyl-1,3-dioxanyl)butyraldehyde

Guidance literature:: Multi-step reaction with 2 steps

1: 90 percent / lithium aluminium hydride / diethyl ether / 12 h / Heating

2: 60 percent / Collins reagent (from chromic oxide, pyridine) / CH₂Cl₂ / 0.33 h / 15 °C

With lithium aluminium tetrahydride; Collins oxidation agent; In diethyl ether; dichloromethane;
DOI:10.1139/v90-022