CAS No.53936-56-4,Deoxyarbutin Suppliers

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Basic Information

Molecular Structure:
CAS No.:	53936-56-4
Name:	Deoxyarbutin
Article Data:	22

Formula:	C₁₁H₁₄O₃
Molecular Weight:	194.23
Synonyms:	4-(Tetrahydro-2H-pyran-2-yloxy)phenol;
EINECS:	1308068-626-2
Density:	1.174 g/cm³
Melting Point:	83-88℃
Boiling Point:	349.779 °C at 760 mmHg
Flash Point:	165.341 °C
PSA:	38.69000
LogP:	2.29760

Synthetic route

: 53936-79-1
4-benzyloxyphenyl 2-tetrahydropyranyl ether

: 53936-56-4
4-(tetrahydro-2H-2-pyranyloxy)phenol

Conditions

Conditions	Yield
With 5%-palladium/activated carbon; hydrogen In ethanol at 20℃; under 3000.3 Torr; for 3h; Autoclave;	100%
With aluminum oxide; hydrogen; palladium on activated charcoal In ethyl acetate at 20℃; Product distribution / selectivity;	82%
With hydrogen; calcium carbonate; palladium on activated charcoal In ethyl acetate at 20℃; Product distribution / selectivity;	80%

: 134142-87-3
2-(4-Acetoxyphenoxy)tetrahydropyran

: 53936-56-4
4-(tetrahydro-2H-2-pyranyloxy)phenol

Conditions

Conditions	Yield
With sodium perborate In methanol at 25℃; for 0.25h;	84%

: 110-87-2
3,4-dihydro-2H-pyran

: 123-31-9
hydroquinone

A: 2139-44-8
2-(4-(tetrahydro-2H-pyran-2-yloxy)phenoxy)tetrahydro-2H-pyran

B: 53936-56-4
4-(tetrahydro-2H-2-pyranyloxy)phenol

Conditions

Conditions	Yield
With iron(III) sulfate In acetone for 1h;	A 12% B 72%
With aluminium trichloride

...Expand

: 110-87-2
3,4-dihydro-2H-pyran

: 123-31-9
hydroquinone

: 53936-56-4
4-(tetrahydro-2H-2-pyranyloxy)phenol

Conditions

Conditions	Yield
With ruthenium(III) acetate at 20℃; for 12h;	72%
With pyridinium p-toluenesulfonate In dichloromethane at 10 - 25℃; for 16h; Inert atmosphere;	52.7%
With pyridinium p-toluenesulfonate In tetrahydrofuran at 20℃; for 16h; Inert atmosphere;	49.6%

: 36637-44-2
(4-((tetrahydro-2H-pyran-2-yl)oxy)phenyl)magnesium bromide

: 53936-56-4
4-(tetrahydro-2H-2-pyranyloxy)phenol

Conditions

Conditions	Yield
With air In tetrahydrofuran at -25℃; under 12929 Torr; for 0.0566667h; Green chemistry;	64%

: 2-(4-allyloxy-phenoxy)-tetrahydro-pyran

: 53936-56-4
4-(tetrahydro-2H-2-pyranyloxy)phenol

Conditions

Conditions	Yield
With sodium acetate; nickel In N,N-dimethyl-formamide for 18h; Ambient temperature;	25%

: 103-16-2
4-Benzyloxyphenol

: 53936-56-4
4-(tetrahydro-2H-2-pyranyloxy)phenol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: pyridinium p-toluenesulfonate / dichloromethane / 8 h / 20 °C / Inert atmosphere; Cooling with ice 2: 5%-palladium/activated carbon; hydrogen / ethanol / 3 h / 20 °C / 3000.3 Torr / Autoclave View Scheme
Multi-step reaction with 2 steps 1: pyridinium p-toluenesulfonate / dichloromethane / 6 h / 20 °C / Inert atmosphere; Cooling with ice 2: pyridine; 5%-palladium/activated carbon; hydrogen / tetrahydrofuran; ethanol / 8 h / 50 °C / 3750.38 Torr View Scheme
Multi-step reaction with 2 steps 1: pyridinium p-toluenesulfonate / dichloromethane / 7 h / 20 °C / Cooling with ice 2: 5%-palladium/activated carbon; hydrogen / ethanol; tetrahydrofuran / 8 h / 50 °C / 3750.38 Torr View Scheme

: 110-87-2
3,4-dihydro-2H-pyran

: 53936-56-4
4-(tetrahydro-2H-2-pyranyloxy)phenol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: pyridinium p-toluenesulfonate / dichloromethane / 8 h / 20 °C / Inert atmosphere; Cooling with ice 2: 5%-palladium/activated carbon; hydrogen / ethanol / 3 h / 20 °C / 3000.3 Torr / Autoclave View Scheme
Multi-step reaction with 2 steps 1: pyridinium p-toluenesulfonate / dichloromethane / 6 h / 20 °C / Inert atmosphere; Cooling with ice 2: pyridine; 5%-palladium/activated carbon; hydrogen / tetrahydrofuran; ethanol / 8 h / 50 °C / 3750.38 Torr View Scheme
Multi-step reaction with 2 steps 1: pyridinium p-toluenesulfonate / dichloromethane / 7 h / 20 °C / Cooling with ice 2: 5%-palladium/activated carbon; hydrogen / ethanol; tetrahydrofuran / 8 h / 50 °C / 3750.38 Torr View Scheme

: 777078-65-6
6-(2-acryloyloxyethoxy)capronic acid

: 53936-56-4
4-(tetrahydro-2H-2-pyranyloxy)phenol

: 1187579-83-4
C22H30O7

Conditions

Conditions	Yield
With dmap; 2,6-di-tert-butyl-4-methyl-phenol; dicyclohexyl-carbodiimide In chloroform at 20℃; Inert atmosphere; Cooling with ice;	94%

: 2009-83-8
6-chloro-1-hexanol

: 53936-56-4
4-(tetrahydro-2H-2-pyranyloxy)phenol

: 161841-10-7
C17H26O4

Conditions

Conditions	Yield
With potassium carbonate In ISOPROPYLAMIDE at 90 - 100℃; Inert atmosphere;	91%
With potassium carbonate In N,N-dimethyl-formamide at 90 - 100℃; Inert atmosphere;	91%
With potassium carbonate In N,N-dimethyl-formamide at 100℃; for 24h; Inert atmosphere;	84.9%

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Specification

The Deoxyarbutin with CAS registry number of 53936-56-4 is also known as Phenol,4-[(tetrahydro-2H-pyran-2-yl)oxy]-. The systematic name is 4-(Tetrahydro-2H-pyran-2-yloxy)phenol. In addition, the formula is C₁₁H₁₄O₃ and the molecular weight is 194.23.

Physical properties about Deoxyarbutin are: (1)ACD/LogP: 1.50; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 38.69 Å²; (7)Index of Refraction: 1.552; (8)Molar Refractivity: 52.841 cm³; (9)Molar Volume: 165.414 cm³; (10)Polarizability: 20.948×10^-24cm³; (11)Surface Tension: 46.085 dyne/cm; (12)Density: 1.174 g/cm³; (13)Flash Point: 165.341 °C; (14)Enthalpy of Vaporization: 61.778 kJ/mol; (15)Boiling Point: 349.779 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
1. SMILES: O(c1ccc(O)cc1)C2OCCCC2
2. InChI: InChI=1/C11H14O3/c12-9-4-6-10(7-5-9)14-11-3-1-2-8-13-11/h4-7,11-12H,1-3,8H2
3. InChIKey: GFBCWCDNXDKFRH-UHFFFAOYAE
4. Std. InChI: InChI=1S/C11H14O3/c12-9-4-6-10(7-5-9)14-11-3-1-2-8-13-11/h4-7,11-12H,1-3,8H2
5. Std. InChIKey: GFBCWCDNXDKFRH-UHFFFAOYSA-N