Bis(3-(perfluoroethyl)-1-(9-bromononyl)propyl) thioether

Base Information

• Chemical Name: Bis(3-(perfluoroethyl)-1-(9-bromononyl)propyl) thioether
• CAS No.: 148757-89-5
• Molecular Formula: C14H24 Br F5 S
• Molecular Weight: 399.307
• DSSTox Substance ID: DTXSID40692928
• Mol file: 148757-89-5.mol

Synonyms:Bis(3-(perfluoroethyl)-1-(9-bromononyl)propyl) thioether;SCHEMBL2323945;DTXSID40692928;EC 422-850-5

Chemical Property of Bis(3-(perfluoroethyl)-1-(9-bromononyl)propyl) thioether

Chemical Property:

• Boiling Point: 349.0±42.0 °C(Predicted)
• PSA: 25.30000
• Density: 1.271±0.06 g/cm3(Predicted)
• LogP: 6.82300
• XLogP3: 14.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 26
• Exact Mass: 764.15068
• Heavy Atom Count: 41
• Complexity: 578

Purity/Quality:

99.9% ^*data from raw suppliers

9-Bromononyl4,4,5,5,5-pentafluoropentylSulfide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,N
• Statements: 43-50/53
• Safety Statements: 24-37-60-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCCCC(CCC(C(F)(F)F)(F)F)SC(CCCCCCCCCBr)CCC(C(F)(F)F)(F)F)CCCCBr
• Uses: 9-Bromononyl 4,4,5,5,5-pentafluoropentyl Sulfide is a reagent for the preparation of androgen to treat advanced prostate cancer.

Technology Process of Bis(3-(perfluoroethyl)-1-(9-bromononyl)propyl) thioether

There total 12 articles about Bis(3-(perfluoroethyl)-1-(9-bromononyl)propyl) thioether 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:

9-bromo-1-nonene (89359-54-6) + 4,4,5,5,5-pentafluoropentane-1-thiol (148757-88-4) → 1-bromo-9-(4,4,5,5,5-pentafluoropentylsulfanyl)nonane (148757-89-5)

Guidance literature:

With 2,2-dimethoxy-2-phenylacetophenone; In chloroform; at 20 ℃; for 3h; Inert atmosphere; UV-irradiation;

Reference yield:

1,9-Dibromononane (4549-33-1) + 4,4,5,5,5-pentafluoropentane-1-thiol (148757-88-4) → 1-bromo-9-(4,4,5,5,5-pentafluoropentylsulfanyl)nonane (148757-89-5)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 50 ℃; for 3h;

Reference yield:

azodicarboxylic acid ethyl ester + 9-bromononan-1-ol (55362-80-6) + 4,4,5,5,5-pentafluoropentane-1-thiol (148757-88-4) → 1-bromo-9-(4,4,5,5,5-pentafluoropentylsulfanyl)nonane (148757-89-5)

Guidance literature:

With triphenylphosphine; In tetrahydrofuran;

upstream raw materials:

9-bromononan-1-ol

4,4,5,5,5-pentafluoropentane-1-thiol

1-methanesulfonyloxy-4,4,5,5,5-pentafluoropentane

2-(9-hydroxynonyl)-2-thiopseudourea hydrobromide

Downstream raw materials:

3-oxo-7α-[9-(4,4,5,5,5-pentafluoropentylsulfanyl)nonyl]estra-4-en-17βyl acetate

3-oxo-7β-[9-(4,4,5,5,5-pentafluoropentylsulfanyl)nonyl]estra-4-en-17βyl acetate

9-(4,4,5,5,5-pentafluoropentylsulfanyl)nonyl alcohol

Refernces

• 1、 -. "PROCESS AND INTERMEDIADES FOR THE PREPARATION OF 7-ALKYLATED STEROIDS". . . Retrieved 2015/12/17.
• 2、 -. "11β-substituted 14,17-ethanoestratrienes, process for their production and their use as pharmaceutical agents". . . Retrieved 2008/06/13.