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Cas Database |
| Name |
3-(4-Hydroxy-3-methoxyphenyl)-1-propanol |
EINECS | N/A |
| CAS No. | 2305-13-7 | Density | 1.148 g/cm3 |
| PSA | 49.69000 | LogP | 1.32570 |
| Solubility | N/A | Melting Point |
63-65 °C |
| Formula | C10H14O3 | Boiling Point | 339.8 °C at 760 mmHg |
| Molecular Weight | 182.219 | Flash Point | 159.3 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | R40; R22; R10; R36/38; R23/25; R11; R36/37/38 | |
| Molecular Structure |
|
Hazard Symbols |
 Xn, T, F, Xi
|
| Synonyms |
Guaiacylpropanol; |
Article Data | 50 |
3-(4-Hydroxy-3-methoxyphenyl)-1-propanol Synthetic route
- 458-36-6
trans-coniferyl aldehyde
A
- 2305-13-7
3-Guaiacylpropanol
B
- 458-35-5, 32811-40-8, 69056-21-9
coniferal alcohol
| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate In ethyl acetate for 1h; Ambient temperature; | A 1% B 99% |
- 7382-59-4
guaiacylglycerol-β-guaiacyl ether
A
- 2785-87-7
2-methoxy-4-n-propylphenol
B
- 2305-13-7
3-Guaiacylpropanol
C
- 90-05-1
2-methoxy-phenol
| Conditions | Yield |
|---|---|
| With palladium 10% on activated carbon; hydrogen; zinc(II) acetate dihydrate In methanol at 225℃; under 26618.1 Torr; Catalytic behavior; | A 69% B 20% C 98% |
| With hydrogen In methanol at 260℃; under 22502.3 Torr; for 12h; Catalytic behavior; Temperature; Time; | A 43 %Chromat. B 11 %Chromat. C 71 %Chromat. |
| With hydrogen In methanol at 220℃; under 22502.3 Torr; for 8h; Catalytic behavior; Temperature; | A 11 %Chromat. B 44 %Chromat. C 76 %Chromat. |
| Conditions | Yield |
|---|---|
| With formic acid In water at 120℃; for 3h; Green chemistry; | A 93% B 95% |
| With palladium 10% on activated carbon; hydrogen In methanol at 225℃; under 26618.1 Torr; Catalytic behavior; | A 74% B 74% |
| With 10% nickel/activated carbon; hydrogen In 1,4-dioxane at 150℃; under 15001.5 Torr; for 2h; Autoclave; | A 7.7% B 6.4% |
- 458-35-5, 32811-40-8, 69056-21-9
coniferal alcohol
- 2305-13-7
3-Guaiacylpropanol
| Conditions | Yield |
|---|---|
| With ferrous ammonium sulphate hexahydrate; isopropyl β-D-thiogalactopyranoside In aq. phosphate buffer at 37℃; for 48h; | 91% |
| With hydrogen; palladium on activated charcoal In methanol at 20℃; for 4h; | 90% |
| With hydrogen; palladium on activated charcoal In ethyl acetate for 3h; | 55 mg |
- 56024-44-3
methyl 3-(4-hydroxy-3-methoxyphenyl)propanoate
- 2305-13-7
3-Guaiacylpropanol
| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate In water for 8h; Ambient temperature; | 90% |
| With lithium aluminium tetrahydride In diethyl ether | |
| With lithium borohydride In diethyl ether; toluene for 0.25h; Heating; | |
| With lithium aluminium tetrahydride Reduction; |
- 97-53-0
4-allylguaiacol
A
- 2305-13-7
3-Guaiacylpropanol
B
- 20736-21-4
1-(4-hydroxy-3-methoxyphenyl)-2-propanol
| Conditions | Yield |
|---|---|
| Stage #1: 4-allylguaiacol With dimethylsulfide borane complex In tetrahydrofuran Stage #2: With sodium hydroxide; dihydrogen peroxide In tetrahydrofuran | A 84% B n/a |
| Stage #1: 4-allylguaiacol With dimethylsulfide borane complex In tetrahydrofuran at 0 - 20℃; for 2h; Stage #2: With dihydrogen peroxide; sodium hydroxide In tetrahydrofuran at 0 - 20℃; for 1h; Inert atmosphere; | A 80% B n/a |
| With sodium hydroxide; tetrabutylammonium boranate; dihydrogen peroxide; methyl iodide 1.) CH2Cl2, reflux, 30 min, 2.) 1.5 h; Yield given. Multistep reaction. Yields of byproduct given. Title compound not separated from byproducts; |
| Conditions | Yield |
|---|---|
| With whole cell cultures of dichomitus albidofuscus at 24℃; for 72h; Darkness; Microbiological reaction; | 77% |
| Multi-step reaction with 2 steps 1: LiAlH4 / tetrahydrofuran / 1 h / -30 °C 2: H2 / 10percent Pd-charcoal / methanol / 2 h / 1810.02 Torr View Scheme | |
| With D-Glucose; Escherichia coli endogenous alcohol dehydrogenase; Segniliparus rugosus carboxylic acid reductase; dimethyl sulfoxide; magnesium chloride In aq. phosphate buffer at 30℃; for 18h; pH=7.5; Enzymatic reaction; |
- 7382-59-4
guaiacylglycerol-β-guaiacyl ether
A
- 2305-13-7
3-Guaiacylpropanol
B
- 95316-34-0
3-Hydroxy-1-methoxy-2-(2-methoxy-phenoxy)-1-(4-hydroxy-3-methoxy-phenyl)-propan
C
- 90-05-1
2-methoxy-phenol
| Conditions | Yield |
|---|---|
| With 10% nickel/activated carbon; hydrogen In methanol at 120℃; under 15001.5 Torr; for 2h; Time; Autoclave; | A 7.4% B 72.8% C 9.2% |
- 20649-42-7, 458-36-6
coniferaldehyde
A
- 2305-13-7
3-Guaiacylpropanol
B
- 80638-48-8
3-(3'-methoxy-4'-hydroxyphenyl)propionaldehyde
| Conditions | Yield |
|---|---|
| With palladium 10% on activated carbon; hydrogen for 2h; | A 70.4% B 11.9% |
- 94824-16-5
1,3-dihydroxy-1-(4-O-benzyl-3-methoxyphenyl)propane
- 2305-13-7
3-Guaiacylpropanol
| Conditions | Yield |
|---|---|
| With hydrogenchloride In water | 45% |
3-(4-Hydroxy-3-methoxyphenyl)-1-propanol Specification
The Benzenepropanol,4-hydroxy-3-methoxy-, with the CAS registry number of 2305-13-7, is also known as Guaiacylpropanol. It belongs to the product category of Benzhydrols, Benzyl & Special Alcohols. This chemical's molecular formula is C10H14O3 and molecular weight is 182.22. What's more, its IUPAC name is 4-(3-Hydroxypropyl)-2-methoxyphenol.
Physical properties about the Benzenepropanol,4-hydroxy-3-methoxy- are: (1)ACD/LogP: 0.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.85; (4)ACD/LogD (pH 7.4): 0.85; (5)ACD/BCF (pH 5.5): 2.59; (6)ACD/BCF (pH 7.4): 2.59; (7)ACD/KOC (pH 5.5): 68.87; (8)ACD/KOC (pH 7.4): 68.73; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.549; (14)Molar Refractivity: 50.53 cm3; (15)Molar Volume: 158.6 cm3; (16)Surface Tension: 45.4 dyne/cm; (17)Density: 1.148 g/cm3; (18)Flash Point: 159.3 °C; (19)Enthalpy of Vaporization: 61.56 kJ/mol; (20)Boiling Point: 339.8 °C at 760 mmHg; (21)Vapour Pressure: 3.49E-05 mmHg at 25 °C.
Preparation: this chemical is prepared by 3-(4-Hydroxy-3-methoxy-phenyl)-propionic acid methyl ester. The reaction needs reagent LiBH4 and solvent Diethyl ether. The reaction time is 15 min.
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Uses: it is used to produce other chemicals. For example, it is used to produce 4-[3-(tert-Butyl-dimethyl-silanyloxy)-propyl]-2-methoxy-phenol. This reaction needs reagents Et3N and N,N-Dimethylaminopyridine. Meanwhile, it needs solvent CH2Cl2. The reaction time is 24 h. The yield is about 55 %.
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You can still convert the following datas into molecular structure:
(1) SMILES: Oc1ccc(cc1OC)CCCO
(2) InChI: InChI=1/C10H14O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h4-5,7,11-12H,2-3,6H2,1H3
(3) InChIKey: MWOMNLDJNQWJMK-UHFFFAOYAL
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