Benzaldehyde, 4-(acetyloxy)-3-(3-methyl-3-buten-1-ynyl)-

Base Information

Chemical Name:Benzaldehyde, 4-(acetyloxy)-3-(3-methyl-3-buten-1-ynyl)-
CAS No.:168132-67-0
Molecular Formula:C14H12O3
Molecular Weight:228.247
Hs Code.:
DSSTox Substance ID:DTXSID50436037
Wikidata:Q82251218

Synonyms:Benzaldehyde, 4-(acetyloxy)-3-(3-methyl-3-buten-1-ynyl)-;168132-67-0;SCHEMBL7743609;KCBMUYVRPPTFCK-UHFFFAOYSA-;DTXSID50436037;InChI=1/C14H12O3/c1-10(2)4-6-13-8-12(9-15)5-7-14(13)17-11(3)16/h5,7-9H,1H2,2-3H3

Suppliers and Price of Benzaldehyde, 4-(acetyloxy)-3-(3-methyl-3-buten-1-ynyl)-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of Benzaldehyde, 4-(acetyloxy)-3-(3-methyl-3-buten-1-ynyl)-

Chemical Property:

XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:228.078644241
Heavy Atom Count:17
Complexity:383

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=C)C#CC1=C(C=CC(=C1)C=O)OC(=O)C

Technology Process of Benzaldehyde, 4-(acetyloxy)-3-(3-methyl-3-buten-1-ynyl)-

There total 4 articles about Benzaldehyde, 4-(acetyloxy)-3-(3-methyl-3-buten-1-ynyl)- 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: 95.0%

: 166803-90-3
4-formyl-2-iodophenol acetate

: 78-80-8
2-methylbut-1-en-3-yne

: 168132-67-0
4-acetoxy-3-(3'-methylbut-3'-en-1'-ynyl)benzaldehyde

Guidance literature:: With copper(l) iodide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; triethylamine; Ambient temperature;
DOI:10.1016/0040-4020(95)00441-A

Reference yield: 63.0%

: 166803-90-3
4-formyl-2-iodophenol acetate

: 78-80-8
2-methylbut-1-en-3-yne

: 160625-51-4
5-formyl-2-(methylvinyl)-1-benzofuran

: 168132-67-0
4-acetoxy-3-(3'-methylbut-3'-en-1'-ynyl)benzaldehyde

Guidance literature:: With copper(l) iodide; triethylamine; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; at 20 ℃; for 23h;
DOI:10.1021/np020415t