[3,5-Bis(trifluoromethyl)phenyl]methyl methanesulfonate

Base Information

• Chemical Name: [3,5-Bis(trifluoromethyl)phenyl]methyl methanesulfonate
• CAS No.: 183551-51-1
• Molecular Formula: C10H8 F6 O3 S
• Molecular Weight: 322.22
• Hs Code.: 2906299090
• DSSTox Substance ID: DTXSID80593344
• Wikidata: Q82487807
• Mol file: 183551-51-1.mol

Synonyms:183551-51-1;3,5-Bis(trifluoromethyl)benzyl methanesulphonate;3,5-Bis(trifluoromethyl)benzyl methanesulfonate;[3,5-bis(trifluoromethyl)phenyl]methyl methanesulfonate;Benzenemethanol, 3,5-bis(trifluoromethyl)-, 1-methanesulfonate;SCHEMBL4515121;DTXSID80593344;MFCD04972851;DB-128139;3,5-Bis-trifluoromethyl-benzyl-methansulfonate;A812791;3,5-Bis(trifluoromethyl)benzyl methanesulphonate 98%

Chemical Property of [3,5-Bis(trifluoromethyl)phenyl]methyl methanesulfonate

Chemical Property:

• Vapor Pressure: 0.00172mmHg at 25°C
• Melting Point: 61-62 °C(Solv: ethyl acetate (141-78-6); isopropyl ether (108-20-3))
• Refractive Index: 1.435
• Boiling Point: 303°Cat760mmHg
• Flash Point: 137.1°C
• PSA: 51.75000
• Density: 1.487g/cm³
• LogP: 4.28120
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 322.00983426
• Heavy Atom Count: 20
• Complexity: 400

Purity/Quality:

97% ^*data from raw suppliers

3,5-BIS(TRIFLUOROMETHYL)BENZYL METHANE SULPHONATE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)OCC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

Technology Process of [3,5-Bis(trifluoromethyl)phenyl]methyl methanesulfonate

There total 1 articles about [3,5-Bis(trifluoromethyl)phenyl]methyl methanesulfonate 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: 95.0%

3,5-bis(trifluoromethyl)benzenemethanol (32707-89-4) + methanesulfonyl chloride (124-63-0) → 3,5-bis(trifluoromethyl)benzyl methanesulfonate (183551-51-1)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 20 ℃; for 0.5h;

DOI:10.1016/j.tet.2004.01.097

Reference yield: 82.0%

ethanolamine (141-43-5) + 3,5-bis(trifluoromethyl)benzyl methanesulfonate (183551-51-1) → 2-[[3,5-bis(trifluoromethyl)benzyl]amino]-1-ethanol (156241-24-6)

Guidance literature:

In tetrahydrofuran; at 20 ℃; for 1h;

DOI:10.1016/j.tet.2004.01.097

Reference yield: 56.0%

(2S)-3-amino-2-methylpropan-1-ol (88586-62-3) + 3,5-bis(trifluoromethyl)benzyl methanesulfonate (183551-51-1) → (2S)-3-{[3,5-bis(trifluoromethyl)benzyl]amino}-2-methylpropan-1-ol (183551-57-7)

Guidance literature:

In tetrahydrofuran; at 20 ℃;

DOI:10.1016/j.tet.2004.01.097

upstream raw materials:

3,5-bis(trifluoromethyl)benzenemethanol

methanesulfonyl chloride

Downstream raw materials:

N-[3,5-bis(trifluoromethyl)benzyl]-N-((R)-3-hydroxy-2-methylpropyl]amine

(2S)-3-{[3,5-bis(trifluoromethyl)benzyl]amino}-2-methylpropan-1-ol

2-[[3,5-bis(trifluoromethyl)benzyl]amino]-1-ethanol

4-[3,5-bis(Trifluoromethyl)benzyl]-2,3,4,5-tetrahydro-8-methyl-5-oxo-6-phenyl pyrido[3,2-f][1,4]oxazepine