1,1,1-Trifluoro-3,3-dimethoxypropane

Base Information

• Chemical Name: 1,1,1-Trifluoro-3,3-dimethoxypropane
• CAS No.: 116586-94-8
• Molecular Formula: C5H9 F3 O2
• Molecular Weight: 158.12
• Hs Code.: 2911000000
• DSSTox Substance ID: DTXSID70382087
• Nikkaji Number: J868.495B
• Wikidata: Q82173392
• Mol file: 116586-94-8.mol

Synonyms:3,3,3-Trifluoropropanal dimethylacetal;116586-94-8;1,1,1-trifluoro-3,3-dimethoxypropane;MFCD04038368;3,3,3-TRIFLUOROPROPANALDIMETHYLACETAL;3,3-Dimethoxy-1,1,1-trifluoropropane;SCHEMBL5431731;DTXSID70382087;AKOS006229212;1,1-dimethoxy-3,3,3-trifluoropropane;3,3,3-Trifluoropropanal dimethyl acetal;BS-19283;3,3-(Dimethoxy)-1,1,1-trifluoropropane;CS-0206181;FT-0676924;1,1,1-tris(fluoranyl)-3,3-dimethoxy-propane;A803646

Chemical Property of 1,1,1-Trifluoro-3,3-dimethoxypropane

Chemical Property:

• Vapor Pressure: 188mmHg at 25°C
• Refractive Index: 1.335
• Boiling Point: 62.8°Cat760mmHg
• Flash Point: °C
• PSA: 18.46000
• Density: 1.124g/cm³
• LogP: 1.55770
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 158.05546401
• Heavy Atom Count: 10
• Complexity: 87.4

Purity/Quality:

98%min ^*data from raw suppliers

3,3,3-Trifluoropropanal dimethylacetal 95% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(CC(F)(F)F)OC

Technology Process of 1,1,1-Trifluoro-3,3-dimethoxypropane

There total 5 articles about 1,1,1-Trifluoro-3,3-dimethoxypropane 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%

methanol (67-56-1) + E/Z-1-methoxy-3,3,3-trifluoropropene (26885-67-6,26885-71-2,406-89-3) → 3,3,3-trifluoropropanal dimethyl acetal (116586-94-8)

Guidance literature:

With palladium on activated charcoal; oxygen; copper dichloride; at 120 ℃; for 8h; under 7500.75 Torr;

DOI:10.1039/c6ra03208g

Reference yield: 96.0%

methanol (67-56-1) + (Z)-1-Methoxy-3,3,3-trifluoroprop-1-ene (26885-67-6) → 3,3,3-trifluoropropanal dimethyl acetal (116586-94-8)

Guidance literature:

With toluene-4-sulfonic acid; In dichloromethane; at 40 ℃; for 2h;

DOI:10.1039/cc9960000057

Reference yield: 72.0%

methanol (67-56-1) + 1,1,1-trifluoropropylene (677-21-4) → 3,3,3-trifluoropropanal dimethyl acetal (116586-94-8)

Guidance literature:

With palladium on activated charcoal; oxygen; copper dichloride; at 120 ℃; for 8h; under 7500.75 Torr; Reagent/catalyst; Temperature; Pressure; Catalytic behavior;

DOI:10.1039/c6ra03208g

upstream raw materials:

methanol

(Z)-1-Methoxy-3,3,3-trifluoroprop-1-ene

E/Z-1-methoxy-3,3,3-trifluoropropene

1,1,1-trifluoropropylene

Downstream raw materials:

3,3,3-Trifluoropropionic acid

methyl 3,3,3-trifluoropropionate

3,3,3-trifluoropropanal

Refernces

• 1、 Murray, Ben J.,Ball, Ellis D.,Harsanyi, Antal,Sandford, Graham. "2,3,3,3-Tetrafluoropropene (HFO-1234yf) as a CF3-Building Block: Synthesis of Enol Ethers and Vinyl Sulfides". . p. 7666 - 7672. Retrieved 2019/12/24.
• 2、 -. "A 3, 3, 3-three fluorine third method of synthesizing acid methyl ester". Paragraph 0031; 0032. . Retrieved 2017/04/04.