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CAS No.: | 104-46-1 |
---|---|
Name: | Anethole |
Article Data: | 69 |
Molecular Structure: | |
Formula: | C10H12O |
Molecular Weight: | 148.205 |
Synonyms: | Anise camphor;Isoestragole;NSC 4018;Nauli gum;Oil of aniseed;p-1-Propenylanisole;p-Anethole;p-Methoxy-b-methylstyrene;p-Propenylanisole;p-Propenylphenyl methyl ether;Anisole,p-propenyl- (8CI);Benzene, 1-methoxy-4-(1-propenyl)- (9CI);1-Methoxy-4-(1-propenyl)benzene;1-Methoxy-4-propenylbenzene;1-Propene,1-(4-methoxyphenyl)-;4-(1-Propenyl)anisole;4-Methoxy-1-propenylbenzene;4-Methoxypropenylbenzene;4-Propenylanisole;Anethol; |
EINECS: | 203-205-5 |
Density: | 0.988 g/mL at 25 °C(lit.) |
Melting Point: | 20-21 °C(lit.) |
Boiling Point: | 237.5 °C at 760 mmHg |
Flash Point: | 88.4 °C |
Appearance: | Colourless,clear, liquid |
Hazard Symbols: | Xi |
Risk Codes: | 43 |
Safety: | 36/37 |
PSA: | 9.23000 |
LogP: | 2.72830 |
Conditions | Yield |
---|---|
With bis(triphenylphosphine)nickel(II) chloride In diethyl ether for 12h; Heating; | 90% |
Conditions | Yield |
---|---|
With organo lithium reagent In hexane at 20℃; for 24h; | A 80% B 86% |
Conditions | Yield |
---|---|
With 1-methyl-pyrrolidin-2-one; cobalt acetylacetonate In tetrahydrofuran at 15 - 20℃; for 0.25h; | 80% |
Conditions | Yield |
---|---|
With C68H72Cl2N6NiP2 In tetrahydrofuran at 50℃; for 12h; Inert atmosphere; | 77% |
1-propenylboronic acid
4-chloromethoxybenzene
anethole
Conditions | Yield |
---|---|
With tris(dibenzylideneacetone)dipalladium (0); caesium carbonate In 1,4-dioxane for 24h; Suzuki-Miyaura cross-coupling; Heating; | 58% |
(E)-methyl 3-(3-bromo-4-hydroxyphenyl)acrylate
A
Estragole
B
trans-2-bromo-4-(3-hydroxypropen-1-yl)phenol
C
anethole
Conditions | Yield |
---|---|
With aluminium hydride In diethyl ether for 1h; Ambient temperature; Yields of byproduct given; | A n/a B 48% C n/a |
ethyl p-methoxycinnamate
A
Estragole
B
p-methoxycinnamyl alcohol
C
anethole
Conditions | Yield |
---|---|
With aluminium hydride In diethyl ether for 0.5h; Ambient temperature; Yields of byproduct given; | A n/a B 47% C n/a |
anethole
Conditions | Yield |
---|---|
Stage #1: carbonic acid 1-(4-methoxy-phenyl)-allyl ester methyl ester With bis(1,5-cyclooctadiene)diiridium(I) dichloride; dibenzyl ether; N-isopropylidene-N’-2-nitrobenzenesulfonyl hydrazine In acetonitrile for 18h; Sealed tube; Inert atmosphere; Glovebox; Stage #2: With acetic acid In tetrahydrofuran; 2,2,2-trifluoroethanol; water for 2h; Sealed tube; Inert atmosphere; Glovebox; regioselective reaction; | 45% |
Conditions | Yield |
---|---|
With (2,2'-bipyridine)nickel(II) dibromide; tetrabutylammonium tetrafluoroborate In N,N-dimethyl-formamide at 70℃; i = 250 mA, nickel-sponge cathode; | 44% |
Estragole
A
1-methoxy-4-(4-(p-methoxyphenyl)but-3-enyl)benzene
B
4,4'-dimethoxystilbene
C
1,3-bis(4-methoxyphenyl)prop-1-ene
D
anethole
Conditions | Yield |
---|---|
With tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride In toluene at 40℃; Inert atmosphere; Schlenk technique; | A n/a B n/a C n/a D n/a E 41% |
The Molecular formula of p-PROPENYLANISOLE(104-46-1):C10H12O
The Molecular Weight of p-PROPENYLANISOLE(104-46-1):148.2
The Molecular Structure of p-PROPENYLANISOLE(104-46-1) is:
Melting point:20-21 °C(lit.)
Boiling point:237.5 °C at 760 mmHg
Flash point:88.4 °C
Solubility in water:slightly water soluble .
Index of Refraction:1.545
Molar Refractivity:48.82 cm3
Molar Volume:154.4 cm3
Polarizability:19.35 10-24cm3
Surface Tension:31.8 dyne/cm
Enthalpy of Vaporization:45.51 kJ/mol
Vapour Pressure:0.0687 mmHg at 25°C
Appearance:white crystals or a liquid
IUPAC Name:1-methoxy-4-[(E)-prop-1-enyl]benzene
Synonyms:P-METHOXYPROPENYLBENZENE;P-PROPENYLPHENYL METHYL ETHER;TRANS-1-METHOXY-4-(1-PROPENYL)BENZENE;TRANS-P-METHOXYPROPENYLBENZENE;TRANS-P-PROPENYLANISOLE;FEMA 2086;(E)-1-METHOXY-4-(1-PROPENYL)BENZENE;PARA METHOXY ALPHA PHENYL PROPENE
1. | orl-rat LD50:2090 mg/kg | FCTXAV Food and Cosmetics Toxicology. 2 (1964),327. | ||
2. | orl-mus LD50:3050 mg/kg | FCTXAV Food and Cosmetics Toxicology. 2 (1964),327. | ||
3. | orl-gpg LD50:2160 mg/kg | FCTXAV Food and Cosmetics Toxicology. 2 (1964),327. | ||
4. | orl-bwd LD50:316 mg/kg | AECTCV Archives of Environmental Contamination and Toxicology. 12 (1983),355. |