2-(Perfluoro-N-octyl)acetaldehyde diethyl acetal

Base Information

• Chemical Name: 2-(Perfluoro-N-octyl)acetaldehyde diethyl acetal
• CAS No.: 133377-48-7
• Molecular Formula: C14H13F17O2
• Molecular Weight: 536.22
• DSSTox Substance ID: DTXSID90895705
• Wikidata: Q82872001
• Mol file: 133377-48-7.mol

Synonyms:133377-48-7;2-(PERFLUORO-N-OCTYL)ACETALDEHYDE DIETHYL ACETAL;10,10-diethoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane;DTXSID90895705;IHGUGSBDMLHOJL-UHFFFAOYSA-N

Chemical Property of 2-(Perfluoro-N-octyl)acetaldehyde diethyl acetal

Chemical Property:

• Boiling Point: 98,5°C 10mm
• PSA: 18.46000
• Density: 1,518 g/cm3
• LogP: 6.78500
• XLogP3: 7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 19
• Rotatable Bond Count: 12
• Exact Mass: 536.0644084
• Heavy Atom Count: 33
• Complexity: 649

Purity/Quality:

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCC

Technology Process of 2-(Perfluoro-N-octyl)acetaldehyde diethyl acetal

There total 4 articles about 2-(Perfluoro-N-octyl)acetaldehyde diethyl 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: 69.0%

1-iodoheptadecafluorooctane (507-63-1) + ethanol (64-17-5) + ethyl vinyl ether (109-92-2,25104-37-4) → 10,10-Diethoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-decane (133377-48-7)

Guidance literature:

With triethylamine; bis(dicarbonyl(η-cyclopentadienyl)iron); for 12h; Ambient temperature;

DOI:10.1039/c39910000086

Reference yield:

2-heptadecafluorooctyl-1-ethoxyethylene + ethanol (64-17-5) → 10,10-Diethoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-decane (133377-48-7)

Guidance literature:

With toluene-4-sulfonic acid; In dichloromethane; at 40 ℃; for 24h;

DOI:10.1016/j.jfluchem.2004.07.001

Reference yield:

1-iodoheptadecafluorooctane (507-63-1) → 10,10-Diethoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-decane (133377-48-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 5 percent Spectr_. / Zn / CH₂Cl₂ / 5 h / 25 °C

2: 95 percent Spectr_. / 5 h / 75 °C

With zinc; In dichloromethane;

DOI:10.1016/S0040-4039(00)92222-6

upstream raw materials:

ethanol

Acetic acid 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-iodo-decyl ester

1-iodoheptadecafluorooctane

ethyl vinyl ether

Refernces

• 1、 Laurent,Blancou,Commeyras. "Synthesis of fluoroalkyl ethanal: R(F)CH2CHO". . p. 2489 - 2492. Retrieved 2007/10/02.