Methyl 2-trifluoromethylsulfonyloxy-1-naphthoate

Base Information

• Chemical Name: Methyl 2-trifluoromethylsulfonyloxy-1-naphthoate
• CAS No.: 200573-11-1
• Molecular Formula: C13H9F3O5S
• Molecular Weight: 334.273
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID70452799
• Nikkaji Number: J2.418.786A
• Wikidata: Q82273634
• Mol file: 200573-11-1.mol

Synonyms:200573-11-1;METHYL 2-TRIFLUOROMETHYLSULFONYLOXY-1-NAPHTHOATE;Methyl 2-(((trifluoromethyl)sulfonyl)oxy)-1-naphthoate;METHYL 2-TRIFLUOROMETHANESULFONYLOXY-1-NAPHTHOATE;Methyl 2-(trifluoromethylsulfonyloxy)naphthalene-1-carboxylate;methyl 2-(trifluoromethanesulfonyloxy)naphthalene-1-carboxylate;methyl 2-(trifluoromethylsulfonyloxy)-1-naphthoate;1-Naphthalenecarboxylic acid, 2-[[(trifluoromethyl)sulfonyl]oxy]-, methyl ester;SCHEMBL7513949;DTXSID70452799;AS-73694;CS-0361703;D97839;Methyl 2-trifluoromethanesulfonyloxy--1-naphthoate;Methyl2-(((trifluoromethyl)sulfonyl)oxy)-1-naphthoate;1-carbomethoxy-2-(trifluoromethylsulfonyloxy)naphthalene;2-(Trifluoromethylsulfonyloxy)naphthalene-1-carboxylic acid methyl ester;2-trifluoromethanesulfonyloxy-naphthalene-1-carboxylic acid methyl ester

Chemical Property of Methyl 2-trifluoromethylsulfonyloxy-1-naphthoate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 41-43oC
• Boiling Point: 421.9oC at 760 mmHg
• Flash Point: 208.958oC
• PSA: 78.05000
• Density: 1.5g/cm3
• LogP: 3.93560
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 334.01227904
• Heavy Atom Count: 22
• Complexity: 511

Purity/Quality:

99% ^*data from raw suppliers

METHYL-2-TRIFLUOROMETHANESULFONYLOXY--1-NAPHTHOATE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(C=CC2=CC=CC=C21)OS(=O)(=O)C(F)(F)F

Technology Process of Methyl 2-trifluoromethylsulfonyloxy-1-naphthoate

There total 2 articles about Methyl 2-trifluoromethylsulfonyloxy-1-naphthoate 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: 93.0%

trifluoromethylsulfonic anhydride (358-23-6) + methyl 2-hydroxy-1-naphthoate (947-65-9) → 1-carbomethoxy-2-(trifluoromethylsulfonyloxy)naphthalene (200573-11-1)

Guidance literature:

With pyridine; In dichloromethane; at 0 - 20 ℃; for 1h; Inert atmosphere;

DOI:10.1002/cjoc.201800306

Reference yield:

tert-butyl methyl ether (1634-04-4) + methyl 2-hydroxy-1-naphthoate (947-65-9) → 1-carbomethoxy-2-(trifluoromethylsulfonyloxy)naphthalene (200573-11-1)

Guidance literature:

With pyridine; trifluoromethanesulfonic acid anhydride; In dichloromethane; toluene;

Reference yield: 95.0%

chloro-diphenylphosphine (1079-66-9,74391-44-9) + 1-carbomethoxy-2-(trifluoromethylsulfonyloxy)naphthalene (200573-11-1) → 2-diphenylphosphino-1-naphthoic acid methyl ester (178176-78-8)

Guidance literature:

With zinc; 1,2-bis(diphenylphosphino)ethane nickel(II) chloride; In N,N-dimethyl-formamide; at 100 - 110 ℃;

DOI:10.1039/a705106i

upstream raw materials:

trifluoromethylsulfonic anhydride

methyl 2-hydroxy-1-naphthoate

tert-butyl methyl ether

Downstream raw materials:

2-diphenylphosphino-1-naphthoic acid methyl ester

(1R,2R)-(+)-1,2-diaminocyclohexane-N,N’-bis(2-diphenylphosphino-1-naphthoyl)

2-diphenylphosphino-1-naphthanoic acid