Bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl) disulphide

Base Information

• Chemical Name: Bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl) disulphide
• CAS No.: 42977-21-9
• Molecular Formula: C20H8F34S2
• Molecular Weight: 958.361
• Hs Code.: 2930909090
• European Community (EC) Number: 256-031-7
• DSSTox Substance ID: DTXSID70195598
• Nikkaji Number: J1.089.613D
• Wikidata: Q83068596
• Mol file: 42977-21-9.mol

Synonyms:42977-21-9;Bis(1H,1H,2H,2H-perfluorodecyl)disulfide;Bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl) disulphide;EINECS 256-031-7;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyldisulfanyl)decane;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-[(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)disulfanyl]decane;DTXSID70195598;C20H8F34S2;MFCD08457554;AKOS025310355;C20-H8-F34-S2;BS-28187;Bis(1H,1H,2H,2H-perfluorodecyl)disulphide;CS-0205365;A826096;Bis(1H,1H,2H,2H-perfluorodecyl)disulphide 97%;1,2-bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)disulfane;Bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl) persulfide;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecakis(fluoranyl)-10-[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecakis(fluoranyl)decyldisulfanyl]decane

Chemical Property of Bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl) disulphide

Chemical Property:

• Vapor Pressure: 1.53E-05mmHg at 25°C
• Melting Point: 75oC
• Boiling Point: 376.8°Cat760mmHg
• Flash Point: 181.7°C
• PSA: 50.60000
• Density: 1.673g/cm³
• LogP: 13.16680
• XLogP3: 13.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 36
• Rotatable Bond Count: 19
• Exact Mass: 957.9524501
• Heavy Atom Count: 56
• Complexity: 1250

Purity/Quality:

97% ^*data from raw suppliers

Bis(1H,1H,2H,2H-perfluorodecyl)disulfide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CSSCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Uses: Bis(1H,1H,2H,2H-perfluorodecyl)disulfide (CAS# 42977-21-9) is a dropwise condensation promoter, and a surface modifier used in triple quadrupole mass spectrometers.

Technology Process of Bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl) disulphide

There total 22 articles about Bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl) disulphide 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: 99.7%

1H,1H,2H,2H-Perfluorodecanethiol (34143-74-3) → 1,2-bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)disulfide (42977-21-9)

Guidance literature:

With hydrogenchloride; iodine; dimethyl sulfoxide; for 1.16667h; Heating;

DOI:10.1016/S0022-1139(00)00261-X

Reference yield: 92.7%

3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-decanethiosulfonic acid S-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-decyl) ester → 1,2-bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)disulfide (42977-21-9) + Sodium 2-(perfluorooctyl)ethanesulfinate

Guidance literature:

With sodium hydroxide; In ethanol; at 30 - 33 ℃; for 15.3h;

DOI:10.1016/S0022-1139(99)00239-0

Reference yield: 84.0%

benzylidene-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)benzyl]amine (1318074-82-6) + 3-(4-chlorobut-2-enyl)-3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecylsulfanyl)-6-methoxy-1,3-dihydroindol-2-one (1318074-59-7) → C37H29F17N2O2 + rac-(2'S,3S,5'S)-1'-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,910,10,10-heptafluorodecyl)benzyl]-6-methoxy-2'-phenyl-5'-vinylspiro[indoline-3,3'-pyrrolidin]-2-one + 1,2-bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)disulfide (42977-21-9)

Guidance literature:

3-(4-chlorobut-2-enyl)-3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecylsulfanyl)-6-methoxy-1,3-dihydroindol-2-one; With samarium diiodide; In tetrahydrofuran; at 20 ℃; for 0.333333h; Inert atmosphere;

benzylidene-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)benzyl]amine; In tetrahydrofuran; at 80 ℃; optical yield given as %de; Inert atmosphere; Sealed tube;

DOI:10.1039/c1ob05710c

upstream raw materials:

1H,1H,2H,2H-Perfluorodecanethiol

3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-octanethiosulfonic acid S-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-octyl) ester

2-(n-perfluorooctyl)ethyl iodide

S-[2-(perfluorooctyl)ethyl]thioacetate

Downstream raw materials:

1H,1H,2H,2H-Perfluorodecanethiol

6-methoxy-3-(4-chlorobut-2-enyl)-3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecylsulfanyl)-1-benzyl-1,3-dihydroindol-2-one

6-methoxy-3-(4-chlorobut-2-enyl)-3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecylsulfanyl)-1-p-methoxybenzyl-1,3-dihydroindol-2-one

3-(4-chlorobut-2-enyl)-3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecylsulfanyl)-1-(4-methoxybenzyl)-1,3-dihydroindol-2-one

Refernces

• 1、 Levick, Matthew T.,Grace, Iain,Dai, Sheng-Yao,Kasch, Nicholas,Muryn, Christopher,Lambert, Colin,Turner, Michael L.,Procter, David J.. "A Sm(II)-mediated cascade approach to dibenzoindolo[3,2- b ]carbazoles: Synthesis and evaluation". supporting information. p. 2292 - 2295. Retrieved 2014/05/06.
• 2、 Brace, Neal O.. "Preparation, reactions and physical properties of segmented 2-(perfluoroalkyl)ethanesulfinic acids and their derivatives. the role of the perfluoroalkyl group in finding new and useful compounds and in searching out new chemistry". . p. 21 - 41. Retrieved 2007/10/03.