2-Heptyl-1,3-dioxolane

Base Information

• Chemical Name: 2-Heptyl-1,3-dioxolane
• CAS No.: 4359-57-3
• Deprecated CAS: 957464-81-2
• Molecular Formula: C10H20O2
• Molecular Weight: 172.268
• Hs Code.: 2932999099
• European Community (EC) Number: 224-438-9
• DSSTox Substance ID: DTXSID7063429
• Nikkaji Number: J205.740I
• Wikidata: Q72481423
• Mol file: 4359-57-3.mol

Synonyms:2-Heptyl-1,3-dioxolane;1,3-Dioxolane, 2-heptyl-;4359-57-3;Octanal glycolacetal;EINECS 224-438-9;2-heptyl-[1,3]dioxolane;2-Heptyl-1,3-dioxolane #;2-HEPTYL-1,3-DIOXALANE OCTANAL GLYCOL ACETAL;SCHEMBL1879937;DTXSID7063429;2 - heptyl - 1,3 - dioxolane;MFCD00216992;AKOS006271909;AS-76730;FT-0691694;H1715;D95406;W-109967;1-(Tert-butyldimethylsilyl)-1H-indol-4-yl-4-boronic acid

Chemical Property of 2-Heptyl-1,3-dioxolane

Chemical Property:

• Vapor Pressure: 0.254mmHg at 25°C
• Boiling Point: 212.2°Cat760mmHg
• Flash Point: 77.6°C
• PSA: 18.46000
• Density: 0.902g/cm³
• LogP: 2.71980
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 172.146329876
• Heavy Atom Count: 12
• Complexity: 98

Purity/Quality:

99% ^*data from raw suppliers

2-Heptyl-1,3-dioxolane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC1OCCO1

Technology Process of 2-Heptyl-1,3-dioxolane

There total 6 articles about 2-Heptyl-1,3-dioxolane 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: 97.0%

Octanal (124-13-0) + ethylene glycol (107-21-1) → 2-heptyl-1,3-dioxolane (4359-57-3)

Guidance literature:

With Envirocat EPZG supported reagent; for 0.0333333h; microwave irradiation;

DOI:10.1080/00397919708007292

Reference yield: 88.0%

1-Bromopentane (110-53-2) + 1,3-dioxolan-2-ylethylmagnesium bromide (37610-80-3) → 2-heptyl-1,3-dioxolane (4359-57-3)

Guidance literature:

With lithium chloride; copper dichloride; In tetrahydrofuran; at -10 ℃;

DOI:10.1021/jo00158a037

Reference yield: 80.0%

2-(1-iodooctan-2-yloxy)ethanol → 2-heptyl-1,3-dioxolane (4359-57-3)

Guidance literature:

With Oxone; In ethylene glycol; at 20 ℃; for 2h;

DOI:10.1039/c5ra11092k

upstream raw materials:

Octanal

ethylene glycol

1-Bromopentane

1,3-dioxolan-2-ylethylmagnesium bromide

Downstream raw materials:

(E)-2-Octenal

(2-bromoethyl)octanoate

2-(1-bromoheptyl)-1,3-dioxolane

ethylene glycol mono caprylate

Refernces

• 1、 Shi, Yingxia,Liang, Xuezheng. "Robust acidic pseudo-ionic liquid catalyst with self-separation ability for esterification and acetalization". . p. 1413 - 1421. Retrieved 2019/05/04.
• 2、 Zhao, Shen,Jia, Yueqing,Song, Yu-Fei. "Acetalization of aldehydes and ketones over H4[SiW 12O40] and H4[SiW12O 40]/SiO2". . p. 2618 - 2625. Retrieved 2014/07/22.