1,12-Difluorododecane

Base Information

• Chemical Name: 1,12-Difluorododecane
• CAS No.: 353-30-0
• Molecular Formula: C₁₂H₂₄F₂
• Molecular Weight: 206.319
• Hs Code.: 2903399090
• DSSTox Substance ID: DTXSID90188806
• Nikkaji Number: J91.208E
• Wikidata: Q83060656
• Mol file: 353-30-0.mol

Synonyms:1,12-Difluorododecane;353-30-0;Dodecane,1,12-difluoro-;DODECANE, 1,12-DIFLUORO-;BRN 1700201;4-01-00-00501 (Beilstein Handbook Reference);1,12-Difluoro-dodecane;SCHEMBL16933741;DTXSID90188806;C12H24F2;C12-H24-F2;LS-63444

Chemical Property of 1,12-Difluorododecane

Chemical Property:

• Vapor Pressure: 0.0115mmHg at 25°C
• Refractive Index: 1.403
• Boiling Point: 270.3 °C at 760 mmHg
• Flash Point: 97 °C
• PSA: 0.00000
• Density: 0.868 g/cm³
• LogP: 4.82640
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 11
• Exact Mass: 206.18460709
• Heavy Atom Count: 14
• Complexity: 82.3

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCCCCCF)CCCCCF

Technology Process of 1,12-Difluorododecane

There total 3 articles about 1,12-Difluorododecane 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: 91.0%

1,12-dodecandiol (5675-51-4) → 1,12-difluorododecane (353-30-0)

Guidance literature:

With N,N-diethyl-α,α-difluorobenzylamine; In n-heptane; for 0.166667h; Heating; microwave irradiation;

DOI:10.1039/b502471d

Reference yield:

7-fluoro-heptanoic acid (334-28-1) → 1,12-difluorododecane (353-30-0)

Guidance literature:

With methanol; sodium; Electrolysis_.an Platin-Elektroden;

DOI:10.1021/ja01591a062

Reference yield:

7-Fluoroheptanenitrile (334-44-1) → 1,12-difluorododecane (353-30-0)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous methanol.hydrochloric acid / und Erhitzen des Reaktionsprodukts mit wss.Schwefelsaeure

2: sodium; methanol / Electrolysis_.an Platin-Elektroden

With hydrogenchloride; methanol; sodium;

DOI:10.1021/ja01591a062

upstream raw materials:

7-fluoro-heptanoic acid

1,12-dodecandiol

7-Fluoroheptanenitrile

Refernces

• 1、 Kobayashi, Shingo,Yoneda, Atushi,Fukuhara, Tsuyoshi,Hara, Shoji. "Deoxyfluorination of alcohols using N,N-diethyl-α,α-difluoro- (m-methylbenzyl)amine". . p. 6923 - 6930. Retrieved 2007/10/03.