Difluorphos

Base Information

Chemical Name:Difluorphos
CAS No.:503538-70-3
Molecular Formula:C₃₈H₂₄F₄O₄P₂
Molecular Weight:682.547
Hs Code.:
DSSTox Substance ID:DTXSID301116978
Nikkaji Number:J2.002.297C,J2.231.387H,J2.466.345K
Mol file:503538-70-3.mol

Synonyms:503538-70-3;difluorphos;(R)-Difluorphos;(S)-Difluorphos;503538-69-0;(R)-DIFLUORPHOS(TM);5,5'-bis(diphenylphosphino)-2,2,2',2'-tetrafluoro-4,4'-bi-1,3-benzodioxole;Phosphine,[(4S)-2,2,2',2'-tetrafluoro[4,4'-bi-1,3-benzodioxole]-5,5'-diyl]bis[diphenyl-;[4-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)-2,2-difluoro-1,3-benzodioxol-5-yl]-diphenylphosphane;681259-24-5;MFCD05861607;SCHEMBL422003;DTXSID301116978;PS-17824;SY068633;SY075903;CS-0087354;CS-0087695;CS-0202934;E78529;E83116;(-)-5,5'-bis(diphenylphosphanyl)-2,2,2',2'-tetrafluoro-4,4'-bi[benzo-1,3-dioxolyl];(R)-5,5'-Bis(diphenylphosphino)-2,2,2',2'-tetrafluoro-4,4'-bi-1,3-benzodioxole;S-(+)-5,5''-Bis(diphenylphosphino)-2,2,2'',2''-tetrafluoro-4,4''-bi-1,3-benzodioxole;(R)-(2,2,2 inverted exclamation mark ,2 inverted exclamation mark -Tetrafluoro-[4,4 inverted exclamation mark -bibenzo[d][1,3]dioxole]-5,5 inverted exclamation mark -diyl)bis(diphenylphosphine);(R)-(2,2,2',2'-tetrafluoro-[4,4'-bibenzo[d][1,3]dioxole]-5,5'-diyl)bis(diphenylphosphane);(S)-(2,2,2 inverted exclamation mark ,2 inverted exclamation mark -Tetrafluoro-[4,4 inverted exclamation mark -bibenzo[d][1,3]dioxole]-5,5 inverted exclamation mark -diyl)bis(diphenylphosphine);(S)-(2,2,2',2'-tetrafluoro-[4,4'-bibenzo[d][1,3]dioxole]-5,5'-diyl)bis(diphenylphosphane);(S)-[4-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)-2,2-difluoro-1,3-benzodioxol-5-yl]-diphenyl-phosphane;1,1'-[(4S)-2,2,2',2'-Tetrafluoro[4,4'-bi-1,3-benzodioxole]-5,5'-diyl]bis[1,1-diphenylphosphine];R-(-)-5,5'-Bis(diphenylphosphino)-2,2,2',2'-tetrafluoro-4,4'-bi-1,3-benzodioxole, dichloromethane adduct

Suppliers and Price of Difluorphos

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
(S)-Difluorphos
50mg
$ 700.00

Strem Chemicals
S-(+)-5,5'-Bis(diphenylphosphino)-2,2,2',2'-tetrafluoro-4,4'-bi-1,3-benzodioxole, dichloromethane adduct, min. 97% (S)-DIFLUORPHOS(TM)
500mg
$ 467.00

Strem Chemicals
S-(+)-5,5'-Bis(diphenylphosphino)-2,2,2',2'-tetrafluoro-4,4'-bi-1,3-benzodioxole, dichloromethane adduct, min. 97% (S)-DIFLUORPHOS(TM)
100mg
$ 117.00

Total 30 raw suppliers

Chemical Property of Difluorphos

Chemical Property:

Boiling Point:670.9±55.0 °C(Predicted)
PSA：64.10000
LogP:7.51300
Sensitive.:air sensitive
XLogP3:10.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:682.10859589
Heavy Atom Count:48
Complexity:943

Purity/Quality:

97%，99.5%ee ^*data from raw suppliers

(S)-Difluorphos ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Statements: 36/37/38
Safety Statements: 26-36/37/39

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C(C4=C(C=C3)OC(O4)(F)F)C5=C(C=CC6=C5OC(O6)(F)F)P(C7=CC=CC=C7)C8=CC=CC=C8
Uses (S)-DIFLUORPHOS is an electron-poor diphosphane, and can also be used as a chiral supporting ligand.Also, used in preparation of chiral Amino Acid Esters and deuterated Amino Acid Esters.

Technology Process of Difluorphos

There total 8 articles about Difluorphos 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: 67.0%

: 1079-66-9,74391-44-9
chloro-diphenylphosphine

: 681136-91-4
5,5'-dibromo-2,2,2',2'-tetrafluoro-4,4'-bi-1,3-benzodioxole

: 503538-69-0,503538-70-3,681259-24-5
5,5'-bis(diphenylphosphanyl)-2,2,2',2'-tetrafluoro-4,4'-bi-1,3-benzodioxole

Guidance literature:: 5,5'-dibromo-2,2,2',2'-tetrafluoro-4,4'-bi-1,3-benzodioxole; With n-butyllithium; In diethyl ether; hexane; at -75 ℃; for 0.75h;

chloro-diphenylphosphine; In diethyl ether; hexane; at -75 - 25 ℃;
DOI:10.1055/s-2004-815926

Reference yield: 48.0%

: 681136-93-6
5,5'-bis(diphenylphosphanyl)-2,2,2',2'-tetrafluoro-7,7'-bis(triethylsilanyl)-4,4'-bi-1,3-benzodioxole

: 503538-69-0,503538-70-3,681259-24-5
5,5'-bis(diphenylphosphanyl)-2,2,2',2'-tetrafluoro-4,4'-bi-1,3-benzodioxole

Guidance literature:: With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 75 ℃; for 12h;
DOI:10.1055/s-2004-815926

Reference yield:

: 33070-32-5
5-bromo-2,2-difluoro-2H-1,3-benzodioxole

: 503538-69-0,503538-70-3,681259-24-5
5,5'-bis(diphenylphosphanyl)-2,2,2',2'-tetrafluoro-4,4'-bi-1,3-benzodioxole

Guidance literature:: Multi-step reaction with 3 steps

1.1: 2,2,6,6-tetramethylpiperidine; BuLi / tetrahydrofuran; hexane / 2 h / -75 °C

1.2: 86 percent / I₂ / tetrahydrofuran; hexane / -75 °C

2.1: BuLi / diethyl ether; hexane / 0.08 h / -75 °C

2.2: CuBr₂ / diethyl ether; hexane / 0.75 h / -75 °C

2.3: 72 percent / nitrobenzene / diethyl ether; hexane / 12 h / -75 - 25 °C

3.1: BuLi / hexane; diethyl ether / 0.75 h / -75 °C

3.2: 67 percent / diethyl ether; hexane / -75 - 25 °C

With 2,2,6,6-tetramethyl-piperidine; n-butyllithium; In tetrahydrofuran; diethyl ether; hexane; 2.2: Ullmann reaction;
DOI:10.1055/s-2004-815926