3',4'-Dimethoxy-2,2,2-trifluoroacetophenone

Base Information

• Chemical Name: 3',4'-Dimethoxy-2,2,2-trifluoroacetophenone
• CAS No.: 300374-83-8
• Molecular Formula: C₁₀H₉F₃O₃
• Molecular Weight: 234.175
• European Community (EC) Number: 675-505-8
• DSSTox Substance ID: DTXSID80374352
• Nikkaji Number: J3.253.205E
• Wikidata: Q82162904
• Mol file: 300374-83-8.mol

Synonyms:300374-83-8;3',4'-Dimethoxy-2,2,2-trifluoroacetophenone;1-(3,4-Dimethoxyphenyl)-2,2,2-trifluoroethanone;1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethan-1-one;SCHEMBL7245111;DTXSID80374352;MFCD01319991;AKOS010028376;AB08937;FS-4829;CS-0150594;FT-0649066;EN300-49068;D94914;2,2,2-trifluoro-1-(3,4-dimethoxyphenyl)-ethanone;J-017742;3',4'-Dimethoxy-alpha,alpha,alpha-trifluoroacetophenone;Z570516964

Chemical Property of 3',4'-Dimethoxy-2,2,2-trifluoroacetophenone

Chemical Property:

• Vapor Pressure: 0.0107mmHg at 25°C
• Melting Point: 79-81°C
• Boiling Point: 262.8±35.0 °C(Predicted)
• Density: 1.263±0.06 g/cm3(Predicted)
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 234.05037863
• Heavy Atom Count: 16
• Complexity: 252

Purity/Quality:

97% ^*data from raw suppliers

1-(3,4-Dimethoxyphenyl)-2,2,2-trifluoroethanone 95% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C(=O)C(F)(F)F)OC

Technology Process of 3',4'-Dimethoxy-2,2,2-trifluoroacetophenone

There total 6 articles about 3',4'-Dimethoxy-2,2,2-trifluoroacetophenone 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: 92.0%

1-(3,4-dimetoksyfenylo)-2,2,2-trifluoroetan-1-ol (131252-26-1) → 1-(3,4-dimethoxyphenylo)-2,2,2-trifluoroethan-1-one (300374-83-8)

Guidance literature:

With Dess-Martin periodane; In dichloromethane; at 0 - 20 ℃; for 6h;

DOI:10.1002/chem.201601581

Reference yield: 85.0%

ethyl-3,3,3-trifluoropyruvate (13081-18-0) + 3,4-dimethoxybenzenediazonium tetrafluoroborate → 1-(3,4-dimethoxyphenylo)-2,2,2-trifluoroethan-1-one (300374-83-8)

Guidance literature:

With copper(I) oxide; In dichloromethane; dimethyl sulfoxide; at 20 ℃; for 16h; Inert atmosphere; Sealed tube;

DOI:10.1002/chem.201604300

Reference yield: 42.0%

trifluoromethan (75-46-7) + methyl 3,4-dimethoxybenzoate (2150-38-1) → 1-(3,4-dimethoxyphenylo)-2,2,2-trifluoroethan-1-one (300374-83-8)

Guidance literature:

With potassium hexamethylsilazane; In Triethylene glycol dimethyl ether; at -40 ℃; for 4h;

DOI:10.3762/BJOC.17.39

upstream raw materials:

1,2-dimethoxybenzene

1-(3,4-dimetoksyfenylo)-2,2,2-trifluoroetan-1-ol

ethyl trifluoroacetaldehyde hemiacetal

3,4-dimethoxy-benzaldehyde

Downstream raw materials:

(E)-1,2-dimethoxy-4-(3,3,3-trifluoro-1-nitroprop-1-en-2-yl)benzene

3-(2-(3,4-dimethoxyphenyl)-1,1,1-trifluoro-3-nitropropan-2-yl)-1H-indole

C₁₁H₁₂F₃NO₅

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