1,3-DIFLUOROPROPANE

Base Information

• Chemical Name: 1,3-DIFLUOROPROPANE
• CAS No.: 462-39-5
• Molecular Formula: C3H6F2
• Molecular Weight: 80.0774
• Hs Code.: 2909309090
• Mol file: 462-39-5.mol

Synonyms:Propane,1,3-difluoro-;1,3-DIFLUOROPROPANE;1,3-Difluoropropane,97%;1,3-Difluoropropane 97%

Chemical Property of 1,3-DIFLUOROPROPANE

Chemical Property:

• Vapor Pressure: 335mmHg at 25°C
• Melting Point: -104.8°C (estimate)
• Refractive Index: 1.321
• Boiling Point: 47.6 °C at 760 mmHg
• Flash Point: 40-42°C
• Density: 0.9 g/cm³

Purity/Quality:

97% ^*data from raw suppliers

1,3-Difluoropropane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F
• Hazard Codes: F
• Statements: 11
• Safety Statements: 16-23-33

MSDS Files:

SDS file from LookChem

Useful:

• General Description: 1,3-Difluoropropane (also known as propane,1,3-difluoro-) is a fluorinated organic compound that can undergo C–F bond activation through nucleophilic attack, particularly when assisted by non-covalent interactions such as hydrogen bonding. In the presence of a nucleophilic {Pt₂S₂} core, the C–F bond is cleaved via an S_N2 mechanism, with the hydroxyl group in related substrates (e.g., 1,3-difluoro-2-propanol) playing a critical role in stabilizing the transition state and facilitating fluoride departure. This reactivity highlights the influence of functional groups and non-covalent interactions in enabling selective transformations of fluorinated hydrocarbons.

Technology Process of 1,3-DIFLUOROPROPANE

There total 3 articles about 1,3-DIFLUOROPROPANE 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: 15.0%

trimethyleneglycol (504-63-2) → 2-oxo-1,3,2-dioxathiane (4176-55-0) + 1,3-difluoropropane (462-39-5)

Guidance literature:

With 4,4'-diaminostilbene-2,2'-disulfonic acid; In 1,2-dimethoxyethane; for 0.5h;

Reference yield:

ethylene glycol (107-21-1) + 1,3-dibromo-propane (109-64-8) → 1,3-difluoropropane (462-39-5) + 1-Bromo-3-fluoropropane (352-91-0) + 3-fluoropropene (818-92-8)

Guidance literature:

at 150 ℃;

Reference yield:

1,3-dibromo-propane (109-64-8) → 1,3-difluoropropane (462-39-5) + 1-Bromo-3-fluoropropane (352-91-0)

Guidance literature:

With potassium fluoride; ethylene glycol;

DOI:10.1021/jo01148a031

upstream raw materials:

1,3-dibromo-propane

trimethyleneglycol

ethylene glycol

Downstream raw materials:

1,3-bis(dicyclohexylphosphine)propane

1,3-bis(di-tert-butylphosphino)propane

propane

Refernces

C_sp3-F bond activation by nucleophilic attack of the {Pt ₂S₂} core assisted by non-covalent interactions

10.1039/b801889h

The study focuses on the activation of the carbon-fluorine (C–F) bond in 1,3-difluoro-2-propanol by the nucleophilic attack of the {Pt2S2} core, a complex with significant nucleophilic properties. The reaction proceeds via an SN2 mechanism, where the sulfur atoms in the [Pt2(dppp)2(μ-S)2] complex act as nucleophiles, facilitated by the hydrogen bond from the alcohol group of the organic substrate, which is crucial for the departure of the fluoride anion. The study demonstrates that the presence of an OH group in the substrate plays a key role in the C–F bond activation, and the reaction leads to the formation of a new complex, [Pt2(dppp)2(μ-S)(μ-SCH2CH(OH)CH2F]F. The research also includes theoretical calculations using DFT methods to support the proposed mechanism and to understand the role of the OH group in the reaction. This work not only contributes to the understanding of C–F bond activation but also provides insights into the role of non-covalent interactions, such as hydrogen bonding, in facilitating chemical transformations.

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