2-Ethyl-3-propylacrolein, (Z)-

Base Information

• Chemical Name: 2-Ethyl-3-propylacrolein, (Z)-
• CAS No.: 88288-45-3
• Molecular Formula: C8H14O
• Molecular Weight: 126.199
• UNII: 0Y7M27M05R
• Nikkaji Number: J982.528B
• Wikidata: Q27237335
• Mol file: 88288-45-3.mol

Synonyms:2-Ethyl-2-hexenal;cis-2-Ethyl-2-hexenal;2-Ethyl-3-propylacrolein, (Z)-;2-Hexenal, 2-ethyl-, (2Z)-;UNII-0Y7M27M05R;0Y7M27M05R;88288-45-3;(Z)-2-Ethyl-2-hexenal;(Z)-2-ethyl-3-propylacrolein;Hexenal, 2-ethyl-;EPA (CHRIS Code);DTXSID4025296;.alpha.-Ethyl-.beta.-N-propylacrolein;(Z)-2-ethylhexenal;cis-2-ethylhex-2-enal;.alpha.-Ethyl-2-hexenal;(Z)-2-ethylhex-2-enal;(2Z)-2-ethyl-2-hexenal;DTXCID605295;SCHEMBL6554564;(2Z)-2-ethyl-3-propylacrolein;CHEBI:189407;PYLMCYQHBRSDND-VURMDHGXSA-N;(2Z)-2-ETHYLHEX-2-ENAL;Tox21_303143;AKOS015838514;NCGC00256935-01;CAS-645-62-5;Q27237335

Chemical Property of 2-Ethyl-3-propylacrolein, (Z)-

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 126.104465066
• Heavy Atom Count: 9
• Complexity: 103

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC=C(CC)C=O
• Isomeric SMILES: CCC/C=C(/CC)\C=O

Technology Process of 2-Ethyl-3-propylacrolein, (Z)-

There total 4 articles about 2-Ethyl-3-propylacrolein, (Z)- 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: 48.0%

Phenoxymagnesium bromide (35770-74-2) + butyraldehyde (123-72-8) → (Z)-2-ethylhex-2-enal (88288-45-3) + 1,1-bis(2-hydroxyphenyl)butane (82194-51-2)

Guidance literature:

In benzene; for 3h; Heating;

Reference yield: 36.0%

(4-tert-Butylphenoxy)magnesium bromide (36359-99-6) + hexanal (66-25-1) → (Z)-2-ethylhex-2-enal (88288-45-3) + 2,2'-butylidenebis(4-t-butylphenol) (82194-56-7)

Guidance literature:

In benzene; for 3h; Product distribution; Heating; regiospecificity in reactions of aryloxymagnesium bromides with aldehydes or acetals; effect of the substituent on the phenolic nucleus; solvents of variable donicity; educts ratio;

Reference yield:

butyraldehyde (123-72-8) → 2,4,6-tris(n-propyl)-1,3,5-trioxane (2396-43-2) + (Z)-2-ethylhex-2-enal (88288-45-3)

Guidance literature:

With tantalum pentachloride; In diethyl ether; for 4h; Yield given. Yields of byproduct given;

DOI:10.1016/S0040-4020(97)01051-X

upstream raw materials:

Phenoxymagnesium bromide

butyraldehyde

(4-tert-Butylphenoxy)magnesium bromide

hexanal

Downstream raw materials:

3,5-diethylbenzaldehyde

opt.-inakt. 3,5-Diethyl-6-phenyl-cyclohexa-1,3-dien-1-carbaldehyd