2-(trifluoroacetyl)-3,4-dihydronaphthalen-1(2H)-one

Base Information

• Chemical Name: 2-(trifluoroacetyl)-3,4-dihydronaphthalen-1(2H)-one
• CAS No.: 318-46-7
• Molecular Formula: C12H9 F3 O2
• Molecular Weight: 242.197
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID30426032
• Nikkaji Number: J2.729.137F
• Mol file: 318-46-7.mol

Synonyms:318-46-7;2-(trifluoroacetyl)-3,4-dihydronaphthalen-1(2H)-one;2-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-naphthalen-1-one;2-trifluoroacetyl-1-tetralone;2-(2,2,2-Trifluoroacetyl)-3,4-dihydronaphthalen-1(2H)-one;2-trifluoroacetyl-1tetralone;2trifluoroacetyl-1-tetralone;2,-trifluoroacetyl-1-tetralone;SCHEMBL6352009;DTXSID30426032;AKOS005228554;2-(Trifluoroacetyl)-1,2,3,4-tetrahydronaphthalene-1-one;2-(2,2,2-trifluoroacetyl)-1,2,3,4-tetrahydronaphthalen-1-one

Chemical Property of 2-(trifluoroacetyl)-3,4-dihydronaphthalen-1(2H)-one

Chemical Property:

• Melting Point: 49 °C
• Boiling Point: 310.0±42.0 °C(Predicted)
• PKA: 6.48±0.20(Predicted)
• PSA: 34.14000
• Density: 1.342±0.06 g/cm3(Predicted)
• LogP: 2.56310
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 242.05546401
• Heavy Atom Count: 17
• Complexity: 335

Purity/Quality:

99%min ^*data from raw suppliers

2-TRIFLUOROACETYL-1-TETRALONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=CC=CC=C2C(=O)C1C(=O)C(F)(F)F

Technology Process of 2-(trifluoroacetyl)-3,4-dihydronaphthalen-1(2H)-one

There total 6 articles about 2-(trifluoroacetyl)-3,4-dihydronaphthalen-1(2H)-one 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: 98%

ethyl trifluoroacetate, (383-63-1) + 3,4-dihydronaphthalene-1(2H)-one (529-34-0) → 2-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-naphthalen-1-one (318-46-7)

Guidance literature:

With sodium hydride; In tetrahydrofuran; for 2h; Inert atmosphere; Reflux;

DOI:10.1021/jo400280p

Reference yield: 75%

lithium 2-(trifluoroacetyl)-1-tetralonate → 2-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-naphthalen-1-one (318-46-7)

Guidance literature:

With sulfuric acid; In dichloromethane; water;

DOI:10.1016/j.tet.2009.06.122

Reference yield:

ethyl trifluoroacetate, (383-63-1) + 3,4-dihydronaphthalene-1(2H)-one (529-34-0) → 4,5-Dihydro-4-[3-trifluoromethyl]-1H-benz[g]indazol-1-yl]benzenesulfonamide + 2-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-naphthalen-1-one (318-46-7)

Guidance literature:

With hydrogenchloride; sodium methylate; In methanol; ethanol; water;

upstream raw materials:

ethyl trifluoroacetate,

3,4-dihydronaphthalene-1(2H)-one

2,2,2-trifluoroethyl trifluoroacetate

Downstream raw materials:

C₁₅H₉F₃N₂S

Refernces

• 1、 Cotman, Andrej Emanuel,Cahard, Dominique,Mohar, Barbara. "Stereoarrayed CF3-Substituted 1,3-Diols by Dynamic Kinetic Resolution: Ruthenium(II)-Catalyzed Asymmetric Transfer Hydrogenation". supporting information. p. 5294 - 5298. Retrieved 2016/04/26.
• 2、 Wang, Ning-Yu,Zuo, Wei-Qiong,Xu, Ying,Gao, Chao,Zeng, Xiu-Xiu,Zhang, Li-Dan,You, Xin-Yu,Peng, Cui-Ting,Shen, Yang,Yang, Sheng-Yong,Wei, Yu-Quan,Yu, Luo-Ting. "Discovery and structure-activity relationships study of novel thieno[2,3-b]pyridine analogues as hepatitis C virus inhibitors". supporting information. p. 1581 - 1588. Retrieved 2014/03/21.