4,4,5,5,5-Pentafluoropentyl methanesulfonate

Base Information

• Chemical Name: 4,4,5,5,5-Pentafluoropentyl methanesulfonate
• CAS No.: 252947-01-6
• Molecular Formula: C6H9F5O3S
• Molecular Weight: 256.194
• Hs Code.: 2904990090
• DSSTox Substance ID: DTXSID90475884
• Wikidata: Q82306703
• Mol file: 252947-01-6.mol

Synonyms:252947-01-6;4,4,5,5,5-pentafluoropentyl methanesulfonate;Methanesulfonic acid 4,4,5,5,5-pentafluoro-pentyl ester;MFCD04972956;1-Pentanol, 4,4,5,5,5-pentafluoro-, methanesulfonate (9CI);Methanesulfonic acid 4,4,5,5,5-pentafluoro-pentylester;4,4,5,5,5-Pentafluoropentyl methanesulfonate;Methanesulfonic acid 4,4,5,5,5-pentafluoropentyl ester;C6H9F5O3S;SCHEMBL2929806;DTXSID90475884;AC1861;AKOS037649565;CS-12315;SY046284;4,4,5,5,5-pentafluoropentylmethansulfonate;CS-0011471;4,4,5,5,5-pentafluoropentyl methanesulphonate;1-Methylsulfonyloxy-4,4,5,5,5-pentafluoropentane;1-methanesulfonyloxy-4,4,5,5,5-pentafluoropentane;4, 4, 5, 5, 5-pentafluoropentyl methanesulfonate;methanesulfonic acid4,4,5,5,5-pentafluoro-pentyl ester;METHANESULFONICACID4,4,5,5,5-PENTAFLUORO-PENTYLESTER

Chemical Property of 4,4,5,5,5-Pentafluoropentyl methanesulfonate

Chemical Property:

• Boiling Point: 243.7±40.0 °C(Predicted)
• PSA: 51.75000
• Density: 1.405±0.06 g/cm3(Predicted)
• LogP: 3.02120
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 256.01925613
• Heavy Atom Count: 15
• Complexity: 289

Purity/Quality:

99%, ^*data from raw suppliers

4,4,5,5,5-Pentafluoropentyl methanesulfonate ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)OCCCC(C(F)(F)F)(F)F

Technology Process of 4,4,5,5,5-Pentafluoropentyl methanesulfonate

There total 1 articles about 4,4,5,5,5-Pentafluoropentyl 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: 100.0%

methanesulfonyl chloride (124-63-0) + 4,4,5,5,5-pentafluorpentan-1-ol (148043-73-6) → 1-methanesulfonyloxy-4,4,5,5,5-pentafluoropentane (252947-01-6)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃; for 3 - 12h; Product distribution / selectivity;

Reference yield: 80.0%

1-methanesulfonyloxy-4,4,5,5,5-pentafluoropentane (252947-01-6) + C29H44O3S → 17-O-acetyl-S-deoxo-fulvestrant (875573-69-6)

Guidance literature:

With potassium carbonate; In acetonitrile; for 48h; Inert atmosphere; Reflux;

Reference yield: 45.0%

1-methanesulfonyloxy-4,4,5,5,5-pentafluoropentane (252947-01-6) + N-[(1Z)-8-mercapto-5,6-dimethyl-3-oxo-2,3-dihydro-1H-imidazo[5,1-c][1,4]thiazin-1-ylidene]-4-methylbenzenesulfonamide (476414-52-5,607706-85-4) → N-{(1Z)-5,6-dimethyl-3-oxo-8-[(4,4,5,5,5-pentafluoropentyl)thio]-2,3-dihydro-1H-imidazo[5,1-c][1,4]thiazin-1-ylidene}-4-methylbenzenesulfonamide (1180532-17-5,476416-09-8)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 80 ℃;

DOI:10.1016/j.chembiol.2009.12.012

upstream raw materials:

methanesulfonyl chloride

4,4,5,5,5-pentafluorpentan-1-ol