trans-2-Hexenal dimethyl acetal

Base Information

• Chemical Name: trans-2-Hexenal dimethyl acetal
• CAS No.: 18318-83-7
• Molecular Formula: C8H16 O2
• Molecular Weight: 144.214
• Hs Code.: 2911000000
• European Community (EC) Number: 242-204-4
• UNII: 04H497DX4J
• DSSTox Substance ID: DTXSID90885025
• Nikkaji Number: J261.056F,J97.288F
• Wikidata: Q27247646
• Metabolomics Workbench ID: 45342
• Mol file: 18318-83-7.mol

Synonyms:trans-2-Hexenal dimethyl acetal;18318-83-7;(E)-1,1-Dimethoxyhex-2-ene;1,1-Dimethoxy-trans-2-hexene;2-Hexene, 1,1-dimethoxy-, (2E)-;(E)-2-Hexenal, dimethyl acetal;trans-2-Hexen-1-al dimethyl acetal;1,1-Dimethoxyhex-2-ene, (2E)-;trans-2-hexenaldimethylacetal;2-Hexene, 1,1-dimethoxy-, (E)-;2-Hexenal, dimethyl acetal, (E)-;EINECS 242-204-4;BRN 4242579;UNII-04H497DX4J;(2E)-1,1-dimethoxyhex-2-ene;04H497DX4J;1,1-Dimethoxy-2-hexene;Dimethyl acetal(E)-2-Hexenal;(E)-1,1-Dimethoxy-2-hexene;1,1-Dimethoxy-(E)-2-Hexene;FEMA NO. 4098;DTXSID90885025;1,1-Dimethoxy-(2E)-2-Hexene;CHEBI:179941;(E)-2-hexen-1-al dimethyl acetal;MFCD00036542;LS-75548;2-Hexenal, dimethyl acetal, (E)- (8CI);1,1-DIMETHOXY-TRANS-2-HEXENE [FHFI];Q27247646;(E)-2-Hexenal dimethyl acetal 100 microg/mL in Acetonitrile

Chemical Property of trans-2-Hexenal dimethyl acetal

Chemical Property:

• Vapor Pressure: 2.65mmHg at 25°C
• Refractive Index: 1.4250 (estimate)
• Boiling Point: 163.9°Cat760mmHg
• Flash Point: 38.9°C
• PSA: 18.46000
• Density: 0.861g/cm³
• LogP: 1.96160
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 144.115029749
• Heavy Atom Count: 10
• Complexity: 85.3

Purity/Quality:

99% ^*data from raw suppliers

TRANS-2-HEXENAL DIMETHYL ACETAL 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of trans-2-Hexenal dimethyl acetal

There total 5 articles about trans-2-Hexenal dimethyl acetal 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: 100.0%

(E)-2-Hexenal (6728-26-3) + trimethyl orthoformate (149-73-5) → (E)-1,1-dimethoxy-2-hexene (18318-83-7)

Guidance literature:

With lithium tetrafluoroborate; In methanol; at 50 ℃; for 3h;

DOI:10.1055/s-2004-820038

Reference yield: 51.0%

methanol (67-56-1) + (E)-2-Hexenal (6728-26-3) → (E)-1,1-dimethoxy-2-hexene (18318-83-7)

Guidance literature:

With 1-(n-butyl)-3-methylimidazolium tetrachlorogallate; at 20 ℃; for 0.5h;

DOI:10.1016/j.tetlet.2005.08.059

Reference yield:

1,1-dimethoxy-2-phenylselenenylhexane (266683-61-8) → (E)-1,1-dimethoxy-2-hexene (18318-83-7) + (Z)-1,1-dimethoxy-2-hexene

Guidance literature:

With triethylamine; In tetrahydrofuran; at 20 ℃; for 5h; Title compound not separated from byproducts.;

DOI:10.1021/jo9917644

upstream raw materials:

1,1-dimethoxy-2-phenylselenenylhexane

methanol

(E)-2-Hexenal

trimethyl orthoformate

Downstream raw materials:

(1-Dimethoxymethyl-2-methoxy-pentylselanyl)-benzene

1-methoxy-3-phenylthio-1-hexene

(E)-2-Hexenal

Refernces

• 1、 Yong, Jin Kim,Varma, Rajender S.. "Microwave-assisted preparation of 1-butyl-3-methylimidazolium tetrachlorogallate and its catalytic use in acetal formation under mild conditions". . p. 7447 - 7449. Retrieved 2007/10/03.
• 2、 Kerverdo, Sébastien,Lizzani-Cuvelier, Louisette,Du?ach, Elisabet. "Synthesis of α,β-unsaturated oxathiolanes". . p. 10455 - 10462. Retrieved 2007/10/03.