3,4-Dihydronaphthalen-2-yl trifluoromethanesulfonate

Base Information

• Chemical Name: 3,4-Dihydronaphthalen-2-yl trifluoromethanesulfonate
• CAS No.: 143139-14-4
• Molecular Formula: C11H9F3O3S
• Molecular Weight: 278.252
• Hs Code.: 2906299090
• DSSTox Substance ID: DTXSID40456320
• Nikkaji Number: J938.205D
• Mol file: 143139-14-4.mol

Synonyms:143139-14-4;3,4-Dihydronaphthalen-2-yl trifluoromethanesulfonate;TRIFLUORO-METHANESULFONIC ACID 3,4-DIHYDRO-NAPHTHALEN-2-YL ESTER;C11H9F3O3S;SCHEMBL225622;DTXSID40456320;MFCD11505954;SB33616;CS-0340939;A921133;3,4-Dihydronaphthalen-2-yltrifluoromethanesulfonate;2-(Trifluoromethylsulfonyloxy)-3,4-dihydronaphthalene

Chemical Property of 3,4-Dihydronaphthalen-2-yl trifluoromethanesulfonate

Chemical Property:

• PSA: 51.75000
• LogP: 3.92070
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 278.02244980
• Heavy Atom Count: 18
• Complexity: 433

Purity/Quality:

97% ^*data from raw suppliers

3,4-Dihydronaphthalen-2-yl trifluoromethanesulfonate 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=CC2=CC=CC=C21)OS(=O)(=O)C(F)(F)F

Technology Process of 3,4-Dihydronaphthalen-2-yl trifluoromethanesulfonate

There total 17 articles about 3,4-Dihydronaphthalen-2-yl trifluoromethanesulfonate 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: 98.0%

N,N-phenylbistrifluoromethane-sulfonimide (37595-74-7) + 1,2,3,4-tetrahydronaphthalen-2-one (530-93-8) → trifluoromethanesulfonic acid 3,4-dihydronaphthalen-2-yl ester (143139-14-4)

Guidance literature:

1,2,3,4-tetrahydronaphthalen-2-one; With potassium-t-butoxide; In tetrahydrofuran; at -20 - 0 ℃; for 1.16667h;

N,N-phenylbistrifluoromethane-sulfonimide; In tetrahydrofuran; at -20 - 0 ℃; for 4.01667h; Inert atmosphere;

DOI:10.15227/orgsyn.091.0039

Reference yield: 97.0%

1,2,3,4-tetrahydronaphthalen-2-one (530-93-8) + phenylbis[(trifluoromethyl)sulfonyl]amine → trifluoromethanesulfonic acid 3,4-dihydronaphthalen-2-yl ester (143139-14-4)

Guidance literature:

1,2,3,4-tetrahydronaphthalen-2-one; With n-butyllithium; diisopropylamine; In tetrahydrofuran; hexane; at -78 ℃; for 2h;

phenylbis[(trifluoromethyl)sulfonyl]amine; In tetrahydrofuran; hexane; at -78 ℃; Cooling;

DOI:10.1039/b813760a

Reference yield: 96.0%

phenyl trifluoromethanesulfonamide (456-64-4) + 1,2,3,4-tetrahydronaphthalen-2-one (530-93-8) → trifluoromethanesulfonic acid 3,4-dihydronaphthalen-2-yl ester (143139-14-4)

Guidance literature:

1,2,3,4-tetrahydronaphthalen-2-one; With 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; lithium diisopropyl amide; In tetrahydrofuran; at -78 ℃; for 2h;

phenyl trifluoromethanesulfonamide; In tetrahydrofuran; at 0 ℃; for 9h;

DOI:10.1021/jo0498866

upstream raw materials:

trifluoromethylsulfonic anhydride

1,2,3,4-tetrahydronaphthalen-2-one

phenyl trifluoromethanesulfonamide

phenylacetonitrile

Downstream raw materials:

3-phenyl-1,2-dihydronaphthalene

3-bromo-1,2-dihydroxynaphthalene

1-tosyl-1H-benzo[g]indole

1-tosyl-4,5-dihydro-1H-benzo[g]indole

Refernces

• 1、 Tian, Ming-Qing,Shen, Zhen-Yao,Zhao, Xuefei,Walsh, Patrick J.,Hu, Xu-Hong. "Iron-Catalyzed Tertiary Alkylation of Terminal Alkynes with 1,3-Diesters via a Functionalized Alkyl Radical". supporting information. p. 9706 - 9711. Retrieved 2021/03/19.
• 2、 -. "GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE". Paragraph 00971; 00972. . Retrieved 2021/01/22.