3-Hexene, 1,1-diethoxy-, (3Z)-

Base Information

• Chemical Name: 3-Hexene, 1,1-diethoxy-, (3Z)-
• CAS No.: 73545-18-3
• Molecular Formula: C10H20O2
• Molecular Weight: 172.268
• European Community (EC) Number: 277-532-7
• DSSTox Substance ID: DTXSID80888409
• Nikkaji Number: J261.064G
• Wikidata: Q63408898
• Mol file: 73545-18-3.mol

Synonyms:cis-3-Hexenal diethyl acetal;73545-18-3;3-Hexene, 1,1-diethoxy-, (3Z)-;(Z)-1,1-Diethoxyhex-3-ene;3-Hexene, 1,1-diethoxy-, (Z)-;cis-3-Hexenal, diethyl acetal;EINECS 277-532-7;(3Z)-1,1-Diethoxy-3-hexene;cis-1,1-Diethoxy-3-hexene;SCHEMBL873736;(Z)-3-Hexenal diethyl acetal;DTXSID80888409;IOBHVJHSBREPFR-FPLPWBNLSA-N;AKOS006274030;Q63408898

Chemical Property of 3-Hexene, 1,1-diethoxy-, (3Z)-

Chemical Property:

• Appearance/Colour: colorless clear liquid
• Vapor Pressure: 0.409mmHg at 25°C
• Refractive Index: 1.431
• Boiling Point: 202.8 °C at 760 mmHg
• Flash Point: 51.8 °C
• PSA: 18.46000
• Density: 0.859 g/cm³
• LogP: 2.74180
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 172.146329876
• Heavy Atom Count: 12
• Complexity: 104

Purity/Quality:

99% ^*data from raw suppliers

CIS-3-HEXENAL DIETHYL ACETAL 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Hexene, 1,1-diethoxy-, (3Z)-

There total 2 articles about 3-Hexene, 1,1-diethoxy-, (3Z)- 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: 82.0%

1,1-diethoxyhex-3-yne (18229-85-1) → (Z)-3-hexenal diethyl acetal (73545-18-3)

Guidance literature:

With bis(cyclopentadienyl)titanium dichloride; isobutylmagnesium bromide; In diethyl ether; at 20 ℃; for 48h;

DOI:10.1021/jo000537v

Reference yield:

4,4-diethoxybut-1-yne (13397-78-9) → (Z)-3-hexenal diethyl acetal (73545-18-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 98 percent / n-BuLi; HMPA; CaCO₃ / tetrahydrofuran; hexane / 66 h / -78 - 20 °C

2: 82 percent / i-BuMgBr; Cp₂TiCl₂ / diethyl ether / 48 h / 20 °C

With N,N,N,N,N,N-hexamethylphosphoric triamide; bis(cyclopentadienyl)titanium dichloride; n-butyllithium; isobutylmagnesium bromide; calcium carbonate; In tetrahydrofuran; diethyl ether; hexane; 1: Alkylation / 2: Reduction;

DOI:10.1021/jo000537v

Reference yield:

(Z)-3-hexenal diethyl acetal (73545-18-3) → (3Z)-hexenal (6789-80-6)

Guidance literature:

With perchloric acid; In tetrahydrofuran; for 0.0166667h; Yield given;

upstream raw materials:

1,1-diethoxyhex-3-yne

4,4-diethoxybut-1-yne

Downstream raw materials:

(3Z)-hexenal

(R)-(+)-γ-nonalactone

(S)-γ-nonanolide

Refernces