4-(1,3-Dioxolan-2-yl)-2-methylidenebutanal

Base Information

Chemical Name:4-(1,3-Dioxolan-2-yl)-2-methylidenebutanal
CAS No.:23985-09-3
Molecular Formula:C8H12O3
Molecular Weight:156.17900
Hs Code.:2932999099
DSSTox Substance ID:DTXSID70462914
Nikkaji Number:J1.618.827A
Wikidata:Q82287547
Mol file:23985-09-3.mol

Synonyms:23985-09-3;4-(1,3-dioxolan-2-yl)-2-methylidenebutanal;4-[1,3]DIOXOLAN-2-YL-2-METHYLENE-BUTYRALDEHYDE;DTXSID70462914;AKOS006229735

Suppliers and Price of 4-(1,3-Dioxolan-2-yl)-2-methylidenebutanal

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
4-(1,3)DIOXOLAN-2-YL-2-METHYLENE-BUTYRALDEHYDE 95.00%
5MG
$ 496.69

Total 1 raw suppliers

Chemical Property of 4-(1,3-Dioxolan-2-yl)-2-methylidenebutanal

Chemical Property:

Boiling Point:248.6±15.0 °C(Predicted)
PSA：35.53000
Density:1.040±0.06 g/cm3(Predicted)
LogP:0.89460
XLogP3:0.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:156.078644241
Heavy Atom Count:11
Complexity:147

Purity/Quality:: 4-(1,3)DIOXOLAN-2-YL-2-METHYLENE-BUTYRALDEHYDE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C=C(CCC1OCCO1)C=O

Technology Process of 4-(1,3-Dioxolan-2-yl)-2-methylidenebutanal

There total 3 articles about 4-(1,3-Dioxolan-2-yl)-2-methylidenebutanal 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: 86.0%

: 68-12-2,33513-42-7
N,N-dimethyl-formamide

: 333961-98-1
2-(3-bromobut-3-en-1-yl)-1,3-dioxolane

: 23985-09-3
4-(1,3-dioxolan-2-yl)-2-methylenebutanal

Guidance literature:: 2-(3-bromobut-3-en-1-yl)-1,3-dioxolane; With tert.-butyl lithium; In tetrahydrofuran; pentane; at -78 ℃; for 0.666667h;

N,N-dimethyl-formamide; In tetrahydrofuran; pentane; at -78 - 20 ℃; for 16h;
DOI:10.1021/jo047998r

Reference yield:

: 36884-29-4
4-bromo-pent-4-enal

: 23985-09-3
4-(1,3-dioxolan-2-yl)-2-methylenebutanal

Guidance literature:: Multi-step reaction with 2 steps

1.1: 92 percent / p-TsOH / benzene / 5 h / Heating

2.1: t-BuLi / tetrahydrofuran; pentane / 0.67 h / -78 °C

2.2: 86 percent / tetrahydrofuran; pentane / 16 h / -78 - 20 °C

With tert.-butyl lithium; toluene-4-sulfonic acid; In tetrahydrofuran; pentane; benzene;
DOI:10.1021/jo047998r