3 5-DIMETHOXYPHENYL TRIFLUOROMETHANESUL&

Base Information

• Chemical Name: 3 5-DIMETHOXYPHENYL TRIFLUOROMETHANESUL&
• CAS No.: 60319-09-7
• Molecular Formula: C9H9F3O5S
• Molecular Weight: 286.229
• Hs Code.: 2909499000
• European Community (EC) Number: 624-950-6
• DSSTox Substance ID: DTXSID90407746
• Nikkaji Number: J920.068A
• Wikidata: Q82213081
• Mol file: 60319-09-7.mol

Synonyms:3 5-DIMETHOXYPHENYL TRIFLUOROMETHANESUL&;3,5-DIMETHOXYPHENOL TRIFLUOROMETHANE, 9&;3,5-dimethoxyphenyl trifluoromethanesulfonate

Chemical Property of 3 5-DIMETHOXYPHENYL TRIFLUOROMETHANESUL&

Chemical Property:

• Vapor Pressure: 0.000281mmHg at 25°C
• Refractive Index: n20/D 1.4640(lit.)
• Boiling Point: 332.5°C at 760 mmHg
• Flash Point: >230 °F
• PSA: 70.21000
• Density: 1.415 g/mL at 25 °C(lit.)
• LogP: 3.01300
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 286.01227904
• Heavy Atom Count: 18
• Complexity: 349

Purity/Quality:

99% ^*data from raw suppliers

3,5-Dimethoxyphenyl trifluoromethanesulfonate 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/38
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 3 5-DIMETHOXYPHENYL TRIFLUOROMETHANESUL&

There total 3 articles about 3 5-DIMETHOXYPHENYL TRIFLUOROMETHANESUL& 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: 94.0%

3,5-dimethoxyphenol (500-99-2) + trifluoromethylsulfonic anhydride (358-23-6) → 3,5-dimethoxyphenyl trifluoromethanesulfonate (60319-09-7)

Guidance literature:

With 2,6-dimethylpyridine; In dichloromethane; at 0 ℃; for 2h;

DOI:10.1021/jo962423i

Reference yield: 90.0%

3,5-dimethoxyphenol (500-99-2) + trifluoromethane sulfonyl chloride (421-83-0) → 3,5-dimethoxyphenyl trifluoromethanesulfonate (60319-09-7)

Guidance literature:

With sodium carbonate; In toluene; at 5 - 20 ℃; for 8h;

Reference yield:

→ 3,5-dimethoxyphenyl trifluoromethanesulfonate (60319-09-7)

Guidance literature:

upstream raw materials:

3,5-dimethoxyphenol

trifluoromethylsulfonic anhydride

trifluoromethane sulfonyl chloride

Downstream raw materials:

1,3-dimethoxy-5-<14'-(3'',5''-dimethoxyphenyl)tetradecyl>benzene

1,3-dimethoxy-5-tridecylbenzene

1-(3,5-dimethoxyphenyl)-1-heptyne

1,3-dimethoxy-5-tetradecylbenzene

Refernces

• 1、 Dogga, Bhushanarao,Joseph, Jayan T.,Kumar, C. S. Ananda. "Palladium-Catalyzed Reductive Carbonylation of (Hetero) Aryl Halides and Triflates Using Cobalt Carbonyl as CO Source". supporting information. p. 309 - 313. Retrieved 2020/12/23.
• 2、 -. "Synthesis method of 3, 5-dihydroxypentene benzene". Paragraph 0039-0041. . Retrieved 2020/07/21.