Phenol, 4-(2-propen-1-yloxy)- supplier

Name
4-ALLYLOXY-PHENOL
EINECS
CAS No. 6411-34-3
Article Data53
CAS DataBase
Density 1.072 g/cm³
Solubility
Melting Point
Formula C₉H₁₀O₂
Boiling Point 272.6 °C at 760 mmHg
Molecular Weight 150.177
Flash Point 146 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms O-allylhydroquinone;p-Allyloxyphenol;Hydroquinone monoallyl ether;4-Allyloxyphenol;Phenol, p-(allyloxy)- (7CI,8CI);Phenol,4-(2-propenyloxy)- (9CI);
PSA 29.46000
LogP 1.95700

Synthetic route

: 37592-20-4
1,4-bis(allyloxy)benzene

: 6411-34-3
4-allyloxyphenol

Conditions

Conditions	Yield
With ethylmagnesium chloride; iron(II) chloride In tetrahydrofuran; m-xylene at 20℃; for 1h;	97%

: 106-95-6
allyl bromide

: 123-31-9
hydroquinone

: 6411-34-3
4-allyloxyphenol

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile for 12h; Heating;	92%
With potassium carbonate In N,N-dimethyl-formamide at 60℃; for 22h;	75%
With potassium carbonate In acetone for 24h; Reflux; Inert atmosphere;	68%

: 153164-85-3
1-allyloxy-4-prop-2-ynyloxy-benzene

: 6411-34-3
4-allyloxyphenol

Conditions

Conditions	Yield
With titanium(IV) isopropylate; chloro-trimethyl-silane; magnesium In tetrahydrofuran; ethyl acetate at 20℃; for 26h;	91%
With palladium on activated charcoal; ethanolamine In water at 80℃; Inert atmosphere;	74%

: 1-(allyloxy)-4-(2-phenylallyloxy)benzene

: 6411-34-3
4-allyloxyphenol

Conditions

Conditions	Yield
With tert.-butyl lithium In tetrahydrofuran; pentane at -78℃; for 0.5h;	86%

: 4-(Allyloxy)phenyl acetate

: 6411-34-3
4-allyloxyphenol

Conditions

Conditions	Yield
With amberlyst-15 In methanol at 20℃; for 3h;	85%

: 13391-35-0
allyl (4-methoxyphenyl) ether

: 6411-34-3
4-allyloxyphenol

Conditions

Conditions	Yield
With boron dimethyl-trifluoro sulphide In dichloromethane at 0℃; for 0.0833333h;	85%

: 106-51-4
p-benzoquinone

A 2-allylhydroquinone: 2-allylhydroquinone

B: 6411-34-3
4-allyloxyphenol

C: 123-31-9
hydroquinone

Conditions

Conditions	Yield
With allyltributylstanane In benzene for 3h; Ambient temperature; Irradiation;	A 6% B 26% C 52%

...Expand

: 556-56-9
allyl iodid

: 123-31-9
hydroquinone

: 6411-34-3
4-allyloxyphenol

Conditions

Conditions	Yield
With potassium carbonate In acetone at 40℃; for 12h;	41%
With potassium carbonate In acetone for 15h;

: 106-95-6
allyl bromide

: 123-31-9
hydroquinone

A: 37592-20-4
1,4-bis(allyloxy)benzene

B: 6411-34-3
4-allyloxyphenol

Conditions

Conditions	Yield
With potassium carbonate In acetone for 5h; Heating;	A 40.0 g B 27%
With tetra-(n-butyl)ammonium iodide; potassium carbonate In N,N-dimethyl-formamide at 20℃; for 6h;

...Expand

: 106-95-6
allyl bromide

: 123-31-9
hydroquinone

A: 6411-34-3
4-allyloxyphenol

B hydroquinonediallyl ether: hydroquinonediallyl ether

Conditions

Conditions	Yield
With potassium carbonate; acetone

...Expand

: 157259-26-2
4-(allyloxy)phenyl-4-methylbenzenesulfonate

: 6411-34-3
4-allyloxyphenol

Conditions

Conditions	Yield
With lithium trimethylmanganate; magnesium In tetrahydrofuran at 20℃; for 12h;
With potassium hydroxide In ethanol at 90℃;

: 58981-41-2
4-((E)-3,7-Dimethyl-octa-2,6-dienyloxy)-phenol

: 6411-34-3
4-allyloxyphenol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 11 percent / KOH, O2 / methanol; H2O / 144 h / Heating 2: K2CO3 / acetone / Heating View Scheme

: 137362-24-4
4-((2E,5E)-3,6,10-Trimethyl-undeca-2,5,9-trienyloxy)-phenol

: 6411-34-3
4-allyloxyphenol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 12 percent / KOH, O2 / methanol; H2O / 144 h / Heating 2: K2CO3 / acetone / Heating View Scheme

: 123-31-9
hydroquinone

allyl-X (X = Br or I): allyl-X (X = Br or I)

A: 37592-20-4
1,4-bis(allyloxy)benzene

B: 6411-34-3
4-allyloxyphenol

Conditions

Conditions	Yield
With potassium carbonate In acetone

...Expand

: 123-31-9
hydroquinone

allyl - X: allyl - X

: 6411-34-3
4-allyloxyphenol

Conditions

Conditions	Yield
With potassium carbonate In acetone

: 6411-34-3
4-allyloxyphenol

: 98-59-9
p-toluenesulfonyl chloride

: 157259-26-2
4-(allyloxy)phenyl-4-methylbenzenesulfonate

Conditions

Conditions	Yield
With triethylamine In chloroform at 0℃; for 10h;	99.2%

: 6411-34-3
4-allyloxyphenol

: 124-63-0
methanesulfonyl chloride

: 4-(allyloxy)phenyl methanesulfonate

Conditions

Conditions	Yield
With triethylamine In ethyl acetate at 0 - 20℃; for 2h;	99%

: 26254-35-3
5-bromoacenaphthylene-1,2-dione

: 6411-34-3
4-allyloxyphenol

: 5-(4-allyloxyphenoxy)acenaphthoquinone

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 60℃;	93.7%
With potassium carbonate In N,N-dimethyl-formamide at 60℃;	93.7%

: 6411-34-3
4-allyloxyphenol

: 100-39-0
benzyl bromide

: 50666-95-0
allyl (4-benzyloxyphenyl) ether

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile at 85℃; for 4h;	93%

: 6411-34-3
4-allyloxyphenol

: 107-30-2
chloromethyl methyl ether

: 476003-32-4
1-allyloxy-4-(methoxymethoxy)benzene

Conditions

Conditions	Yield
With sodium hydride In tetrahydrofuran for 1h; Heating;	92%

: 6411-34-3
4-allyloxyphenol

: 200112-75-0
3-(perfluorooctyl)propyl iodide

: 3-(4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)phenoxy)prop-1-ene

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile for 4h; Inert atmosphere; Reflux;	91%

C24H34O11: C24H34O11

: 6411-34-3
4-allyloxyphenol

: 929539-12-8
C42H50O13

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 0℃; for 6h;	88%

: 358-23-6
trifluoromethylsulfonic anhydride

: 6411-34-3
4-allyloxyphenol

: 889894-22-8
C10H9F3O4S

Conditions

Conditions	Yield
With pyridine In dichloromethane at 20℃; for 0.5h;	88%

: 6411-34-3
4-allyloxyphenol

: 1080-32-6
O,O-diethyl benzylphosphonate

: 4-(allyloxy)phenyl ethyl benzylphosphonate

Conditions

Conditions	Yield
Stage #1: O,O-diethyl benzylphosphonate With pyridine; trifluoromethylsulfonic anhydride In dichloromethane at 20℃; for 0.166667h; Sealed tube; Stage #2: 4-allyloxyphenol In dichloromethane at 20℃; for 0.5h; Sealed tube;	88%

Phenol, 4-(2-propen-1-yloxy)- Specification

This chemical is called Phenol, 4-(2-propen-1-yloxy)-, and its systematic name is 4-(prop-2-en-1-yloxy)phenol. With the molecular formula of C₉H₁₀O₂, its molecular weight is 150.17. The CAS registry number of this chemical is 6411-34-3. Additionally, its product categoy is Pharmacetical.

Other characteristics of the Phenol, 4-(2-propen-1-yloxy)- can be summarised as followings: (1)ACD/LogP: 2.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.11; (4)ACD/LogD (pH 7.4): 2.11; (5)ACD/BCF (pH 5.5): 23.83; (6)ACD/BCF (pH 7.4): 23.81; (7)ACD/KOC (pH 5.5): 336.81; (8)ACD/KOC (pH 7.4): 336.47; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.538; (14)Molar Refractivity: 43.8 cm³; (15)Molar Volume: 139.9 cm³; (16)Polarizability: 17.36×10^-24cm³; (17)Surface Tension: 38 dyne/cm; (18)Density: 1.072 g/cm³; (19)Flash Point: 146 °C; (20)Enthalpy of Vaporization: 53.15 kJ/mol; (21)Boiling Point: 272.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00361 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O(c1ccc(O)cc1)C/C=C
2.InChI: InChI=1/C9H10O2/c1-2-7-11-9-5-3-8(10)4-6-9/h2-6,10H,1,7H2
3.InChIKey: PWRCOONECNWDBH-UHFFFAOYAO

Product Name

4-ALLYLOXY-PHENOL

Synthetic route

Phenol, 4-(2-propen-1-yloxy)- Specification

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