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1,4-Butanediol,2,2,3,3-tetrafluoro-

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Name

1,4-Butanediol,2,2,3,3-tetrafluoro-

EINECS -0
CAS No. 425-61-6 Density 1.454 g/cm3
PSA 40.46000 LogP 0.24160
Solubility Soluble in water. Melting Point 77-82 °C (lit.)
Formula C4H6F4O2 Boiling Point 289.9 °C at 760 mmHg
Molecular Weight 162.084 Flash Point 129.1 °C
Transport Information UN 3276 Appearance white crystalline powder
Safety 37/39-26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 425-61-6 (2,2,3,3-TETRAFLUORO-1,4-BUTANEDIOL) Hazard Symbols IrritantXi
Synonyms

2,2,3,3-Tetrafluoro-1,4-butanediol;2,2,3,3-Tetrafluorobutanediol;NSC 95113;Tetrafluoro-1,4-butanediol;

 

1,4-Butanediol,2,2,3,3-tetrafluoro- Synthetic route

356-15-0

tetrafluorosuccinyl chloride

425-61-6

2,2,3,3-tetrafluorobutane-1,4-diol

Conditions
ConditionsYield
With sodium tetrahydroborate; sodium hydroxide In ethanol; water at 10 - 20℃; for 0.5h; pH=Ca. 9;86.6%
679-13-0

perfluorosuccinic difluoride

425-61-6

2,2,3,3-tetrafluorobutane-1,4-diol

Conditions
ConditionsYield
Stage #1: perfluorosuccinic difluoride With sodium tetrahydroborate In isopropyl alcohol at 5 - 80℃; for 3h;
Stage #2: With sulfuric acid In isopropyl alcohol at 35℃; for 1h;
53%
377-71-9

diethyl tetrafluorosuccinate

425-61-6

2,2,3,3-tetrafluorobutane-1,4-diol

Conditions
ConditionsYield
With lithium aluminium tetrahydride; diethyl ether
356-36-5

dimethyl tetrafluorosuccinate

425-61-6

2,2,3,3-tetrafluorobutane-1,4-diol

Conditions
ConditionsYield
With lithium aluminium tetrahydride In diethyl ether Heating;
1220957-89-0

2,2,3,3-tetrafluorobutane-1,4-diol diacetate

425-61-6

2,2,3,3-tetrafluorobutane-1,4-diol

Conditions
ConditionsYield
With sulfuric acid Product distribution / selectivity; Reflux;64 %Chromat.
425-61-6

2,2,3,3-tetrafluorobutane-1,4-diol

358-23-6

trifluoromethylsulfonic anhydride

159760-17-5

trifluoro-methanesulfonic Acid 2,2,3,3-tetrafluoro-4-(trifluoro-methanesulfonyloxy)-butyl Ester

Conditions
ConditionsYield
Stage #1: 2,2,3,3-tetrafluorobutane-1,4-diol With pyridine In dichloromethane at 0℃; for 0.166667h;
Stage #2: trifluoromethylsulfonic anhydride In dichloromethane at 20℃; for 12h;
100%
Stage #1: 2,2,3,3-tetrafluorobutane-1,4-diol With pyridine In dichloromethane at 20℃;
Stage #2: trifluoromethylsulfonic anhydride In dichloromethane at 20℃;
95%
Stage #1: 2,2,3,3-tetrafluorobutane-1,4-diol With pyridine In dichloromethane for 0.25h;
Stage #2: trifluoromethylsulfonic anhydride In dichloromethane at 20℃; for 13h;
92%
425-61-6

2,2,3,3-tetrafluorobutane-1,4-diol

98-59-9

p-toluenesulfonyl chloride

122834-95-1

2,2,3,3-tetrafluorobutane-1,4-diyl bis(4-methylbenzenesulfonate)

Conditions
ConditionsYield
With pyridine at 55℃; for 24h;96%
With pyridine at 0 - 55℃; for 24h;94%
With pyridine at 0 - 55℃; for 24h;94%
With pyridine at 55℃; for 24h;94%
With pyridine at 0 - 55℃; for 24h;94%
425-61-6

2,2,3,3-tetrafluorobutane-1,4-diol

106-96-7

propargyl bromide

C10H10F4O2

Conditions
ConditionsYield
Stage #1: 2,2,3,3-tetrafluorobutane-1,4-diol With sodium hydride In tetrahydrofuran; mineral oil at 0℃; for 0.5h;
Stage #2: propargyl bromide In tetrahydrofuran; mineral oil at 0 - 20℃;
94%
425-61-6

2,2,3,3-tetrafluorobutane-1,4-diol

100-39-0

benzyl bromide

521316-04-1

mono-O-benzyl-2,2,3,3-tetrafluorobutane-1,4-diol

Conditions
ConditionsYield
With potassium carbonate In acetonitrile for 16h; Inert atmosphere; Reflux;93%
With potassium carbonate In acetone for 12h; Heating;90%
1189-71-5

isocyanate de chlorosulfonyle

425-61-6

2,2,3,3-tetrafluorobutane-1,4-diol

22084-73-7

2,2,3,3-tetrafluorobutane-1,4-diyl dicarbamate

Conditions
ConditionsYield
In acetonitrile at 20℃;89%

1,4-Butanediol,2,2,3,3-tetrafluoro- Specification

The 1, 4-Butanediol, 2, 2, 3, 3-tetrafluoro-, with the CAS registry number of 425-61-6, is also known as 2, 2, 3, 3-Tetrafluorobutanediol. It belongs to the product categories of Organic Building Blocks; Oxygen Compounds; Polyols. This chemical's molecular formula is C4H6F4O2 and molecular weight is 162.08. What's more, its IUPAC name is 2, 2, 3, 3-Tetrafluorobutane-1, 4-diol.

Physical properties about 1, 4-Butanediol, 2, 2, 3, 3-tetrafluoro- are: (1)ACD/LogP: 0.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.27; (4)ACD/LogD (pH 7.4): 0.27; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 33.57; (8)ACD/KOC (pH 7.4): 33.57; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.354; (14)Molar Refractivity: 24.23 cm3; (15)Molar Volume: 111.4 cm3; (16)Surface Tension: 26.5 dyne/cm; (17)Density: 1.454 g/cm3; (18)Flash Point: 129.1 °C; (19)Enthalpy of Vaporization: 61.41 kJ/mol; (20)Boiling Point: 289.9 °C at 760 mmHg; (21)Vapour Pressure: 0.000235 mmHg at 25 °C.

Uses of 1, 4-Butanediol, 2, 2, 3, 3-tetrafluoro-: it is used to produce other chemicals. For example, it is used to produce 4-(tert-Butyl-diphenyl-silanyloxy)-2, 2, 3, 3-tetrafluoro-butan-1-ol. This reaction needs reagents TEA and DMAP. Meanwhile, it needs solvent CH2Cl2. The yield is about 55 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(CO)C(F)(F)CO
(2) InChI: InChI=1/C4H6F4O2/c5-3(6,1-9)4(7,8)2-10/h9-10H,1-2H2
(3) InChIKey: CDZXJJOGDCLNKX-UHFFFAOYAA

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