5,6,7,8-Tetrahydronaphthalen-1-yl trifluoromethanesulfonate

Base Information

• Chemical Name: 5,6,7,8-Tetrahydronaphthalen-1-yl trifluoromethanesulfonate
• CAS No.: 101533-70-4
• Molecular Formula: C11H11F3O3S
• Molecular Weight: 280.268
• DSSTox Substance ID: DTXSID40542212
• Wikidata: Q82418799
• Mol file: 101533-70-4.mol

Synonyms:101533-70-4;5,6,7,8-tetrahydronaphthalen-1-yl trifluoromethanesulfonate;SCHEMBL1820878;DTXSID40542212;NZJDTIFBIVYXAZ-UHFFFAOYSA-N

Chemical Property of 5,6,7,8-Tetrahydronaphthalen-1-yl trifluoromethanesulfonate

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 280.03809987
• Heavy Atom Count: 18
• Complexity: 385

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2=C(C1)C=CC=C2OS(=O)(=O)C(F)(F)F

Technology Process of 5,6,7,8-Tetrahydronaphthalen-1-yl trifluoromethanesulfonate

There total 4 articles about 5,6,7,8-Tetrahydronaphthalen-1-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:

Cyclodeca-1,3-dien-5-yn-1-yl trifluoromethanesulphonate (108869-56-3) → 5,6,7,8-Tetrahydronaphthalen-1-ol (529-35-1) + 5-bromotetralin (6134-55-0) + (5,6,7,8-Tetrahydro-1-naphthyl)-(2,2,2-trifluorethyl)-ether (101533-69-1) + trifluoro-methanesulfonic acid 5,6,7,8-tetrahydro-naphthalen-1-yl ester (101533-70-4)

Guidance literature:

With sodium carbonate; lithium bromide; In 1,4-dioxane; at 50 ℃; for 72h;

DOI:10.1039/c39850001487

Reference yield:

2,2,2-trifluoroethanol (75-89-8) + Cyclodeca-1,3-dien-5-yn-1-yl trifluoromethanesulphonate (108869-56-3) → 5,6,7,8-Tetrahydronaphthalen-1-ol (529-35-1) + (5,6,7,8-Tetrahydro-1-naphthyl)-(2,2,2-trifluorethyl)-ether (101533-69-1) + (1,2,3,4-Tetrahydro-1-naphthyl)-(2,2,2-trifluorethyl)-ether (108869-52-9) + trifluoro-methanesulfonic acid 5,6,7,8-tetrahydro-naphthalen-1-yl ester (101533-70-4)

Guidance literature:

With sodium carbonate; In water; at 50 ℃; for 72h; Product distribution; other solvents;

DOI:10.1039/c39850001487

Reference yield:

Cyclodeca-1,3-dien-5-yn-1-yl trifluoromethanesulphonate (108869-56-3) → tetralin (119-64-2) + 5-ethoxy-1,2,3,4-tetrahydro-naphthalene (93549-74-7) + 1-Ethoxy-1,2,3,4-tetrahydronaphthalin (108869-54-1) + trifluoro-methanesulfonic acid 5,6,7,8-tetrahydro-naphthalen-1-yl ester (101533-70-4)

Guidance literature:

With sodium carbonate; In ethanol; at 50 ℃; for 72h;

DOI:10.1039/c39850001487

upstream raw materials:

ethanol

Cyclodeca-1,3-dien-5-yn-1-yl trifluoromethanesulphonate

2,2,2-trifluoroethanol

Downstream raw materials:

1-Methylnaphthalene

ethyl 5,6,7,8-tetrahydronaphthalene-1-carboxylate

1-(5,6,7,8-tetrahydro-naphthalen-1-yl)-ethanone