CAS No.14548-74-4,1H,1H-2,5-DI(TRIFLUOROMETHYL)-3,6-DIOXAUNDECAFLUORONONANOL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	14548-74-4
Name:	1H,1H-2,5-DI(TRIFLUOROMETHYL)-3,6-DIOXAUNDECAFLUORONONANOL
Article Data:	6

Formula:	C₉H₃F₁₇O₃
Molecular Weight:	482.094
Synonyms:	1H,1H-Perfluoro-2,5-dimethyl-3,6-dioxanonan-1-ol;2,3,3,3-Tetrafluoro-2-(1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-fluoropropoxy)propoxy)-1-propanol;1-Propanol,2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]-(9CI);1-Propanol,2,3,3,3-tetrafluoro-2-[hexafluoro-2-(heptafluoropropoxy)propoxy]- (8CI);1H,1H-2,5-Di(trifluoromethyl)-3,6-dioxaundecafluorononanol;
Density:	1.719 g/cm³
Boiling Point:	251.9 °C at 760 mmHg
Flash Point:	123 °C
Hazard Symbols:	Xi
Risk Codes:	Xi:Irritant; "> Xi:Irritant;
PSA:	38.69000
LogP:	4.85130

Synthetic route

: 2641-34-1
perfluoro-2,5-dimethyl-3,6-dioxanonanoyl fluoride

: 14548-74-4
2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]-1-propanol

Conditions

Conditions	Yield
With lithium aluminium tetrahydride In diethyl ether at 20℃; for 2h; Inert atmosphere; Reflux;	90%
Multi-step reaction with 2 steps 1: 86.3 percent / Na2CO3; MgSO4; silica gel / diethyl ether / 20 °C 2: 81.1 percent / NaBH4 / diethyl ether; methanol / 12 h / Heating View Scheme

: 26131-32-8
methyl 2,4,4,5,7,7,8,8,9,9,9-undecafluoro-2,5-bis(trifluoromethyl)-3,6-dioxanonanoate

: 14548-74-4
2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]-1-propanol

Conditions

Conditions	Yield
With sodium tetrahydroborate In methanol; diethyl ether for 12h; Heating;	81.1%
With sodium tetrahydroborate In methanol; diethyl ether for 11h; Reflux; Inert atmosphere;	75%
With sodium tetrahydroborate; isopropyl alcohol
With sodium tetrahydroborate In methanol at 20℃; for 2h; Cooling with ice;

: 1173110-39-8
2,4,4,5,7,7,8,8,9,9,9-undecafluoro-2,5-bis(trifluoromethyl)-3,6-dioxanonyl trifluoromethanesulfonate

: 14548-74-4
2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]-1-propanol

Conditions

Conditions	Yield
With sodium hydride; phenol In dimethyl sulfoxide at 130℃; Inert atmosphere;

: 653-34-9
2,3,4,5,6-pentafluorostyrene

: 14548-74-4
2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]-1-propanol

: C17H5F21O3

Conditions

Conditions	Yield
Stage #1: 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propan-1-ol With sodium hydride In tetrahydrofuran at 20℃; Inert atmosphere; Stage #2: 2,3,4,5,6-pentafluorostyrene In tetrahydrofuran at 0℃; Reflux; Inert atmosphere;	90%

: 14548-74-4
2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]-1-propanol

: 90715-73-4
2-(trifluoromethyl)acrylic chloride

: 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(perfluoropropoxy)propoxy]propyl 2-(trifluoromethyl)acrylate

Conditions

Conditions	Yield
Stage #1: 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propan-1-ol With pyridine at -10℃; for 0.333333h; Inert atmosphere; Stage #2: 2-(trifluoromethyl)acrylic chloride at -10 - 20℃; for 17h; Inert atmosphere;	85%

: 14548-74-4
2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]-1-propanol

: 920-46-7
Methacryloyl chloride

: 2,4,4,5,7,7,8,8,9,9,9-undecafluoro-2,5-bis(trifluoromethyl)-3,6-dioxanonyl methacrylate

Conditions

Conditions	Yield
With 2,2-diphenyl-1-picrylhydrazyl; triethylamine In diethyl ether at 20℃; for 4h;	82%

: 590-92-1
3-Bromopropionic acid

: 14548-74-4
2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]-1-propanol

: 820958-27-8
C12H6BrF17O4

Conditions

Conditions	Yield
With trifluoroacetic anhydride at 20 - 30℃; for 4.5h;	80%

: 14548-74-4
2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]-1-propanol

: 2094-72-6
1-Adamantanecarbonyl chloride

: 709615-35-0
C20H17F17O4

Conditions

Conditions	Yield
With pyridine at 20 - 50℃; for 5h;	74.4%
With pyridine at 25 - 50℃; for 5h;	74.4 %Spectr.

: 358-23-6
trifluoromethylsulfonic anhydride

: 14548-74-4
2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]-1-propanol

: 1173110-39-8
2,4,4,5,7,7,8,8,9,9,9-undecafluoro-2,5-bis(trifluoromethyl)-3,6-dioxanonyl trifluoromethanesulfonate

Conditions

Conditions	Yield
With pyridine In dichloromethane at 0 - 20℃; Inert atmosphere;	70.2%
With pyridine In dichloromethane Inert atmosphere;	70%

: 14548-74-4
2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]-1-propanol

: 1429405-66-2
C9H2Cl2F17O4P

Conditions

Conditions	Yield
With lithium chloride; trichlorophosphate	63%

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Specification

The 1-Propanol,2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-, with the CAS registry number 14548-74-4, is also known as 1H,1H-2,5-Di(trifluoromethyl)-3,6-dioxaundecafluorononanol. This chemical's molecular formula is C₉H₃F₁₇O₃ and molecular weight is 482.09. What's more, its systematic name is 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propan-1-ol.

Physical properties of 1-Propanol,2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]- are: (1)ACD/LogP: 11.66; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 11.66; (4)ACD/LogD (pH 7.4): 11.66; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 27.69 Å²; (13)Index of Refraction: 1.292; (14)Molar Refractivity: 51.27 cm³; (15)Molar Volume: 280.3 cm³; (16)Polarizability: 20.32×10^-24cm³; (17)Surface Tension: 16.9 dyne/cm; (18)Density: 1.719 g/cm³; (19)Flash Point: 123 °C; (20)Enthalpy of Vaporization: 56.83 kJ/mol; (21)Boiling Point: 251.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00313 mmHg at 25°C.

Uses of 1-Propanol,2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-: it can be used to produce [2,3,3,3-tetrafluoro-2-(hexafluoro-heptafluoropropyloxy-propoxy)-propoxy]-ethene at the temperature of 0 - 10 °C. It will need reagents mercuric acetate, conc. H₂SO₄ with the reaction time of 8 hours. The yield is about 30%.

1-Propanol,2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]- can be used to produce [2,3,3,3-tetrafluoro-2-(hexafluoro-heptafluoropropyloxy-propoxy)-propoxy]-ethene at the temperature of 0 - 10 °C

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(C(F)(F)OC(F)(C(F)(F)OC(F)(C(F)(F)F)CO)C(F)(F)F)C(F)(F)F
(2)InChI: InChI=1S/C9H3F17O3/c10-2(1-27,5(14,15)16)28-9(25,26)4(13,7(20,21)22)29-8(23,24)3(11,12)6(17,18)19/h27H,1H2
(3)InChIKey: URIUSGOUQUQAMG-UHFFFAOYSA-N