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Cas Database |
| Name |
3,5-Dimethoxybenzyl alcohol |
EINECS | 211-888-6 |
| CAS No. | 705-76-0 | Density | 1.111 g/cm3 |
| PSA | 38.69000 | LogP | 1.19610 |
| Solubility | Insoluble in water | Melting Point |
46-50 °C |
| Formula | C9H12O3 | Boiling Point | 299.1 °C at 760 mmHg |
| Molecular Weight | 168.192 | Flash Point | 134.7 °C |
| Transport Information | N/A | Appearance | White to yellow-beige crystalline solid |
| Safety | 22-24/25-36/37-26 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
Benzylalcohol, 3,5-dimethoxy- (7CI,8CI);(3,5-Dimethoxyphenyl)methan-1-ol;(3,5-Dimethoxyphenyl)methanol;AC1L2CI8;AC1Q56CZ; |
Article Data | 127 |
3,5-Dimethoxybenzyl alcohol Synthetic route
| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate In methanol at 20℃; for 0.166667h; | 100% |
| With sodium tetrahydroborate In methanol at 20℃; for 1h; | 100% |
| With sodium tetrahydroborate In ethanol at 20℃; for 0.5h; Inert atmosphere; | 100% |
| Conditions | Yield |
|---|---|
| With lithium aluminium tetrahydride; 4-methyltetrahydropyran at 0 - 20℃; for 1h; Inert atmosphere; Green chemistry; | 100% |
| With lithium aluminium tetrahydride In tetrahydrofuran | 99% |
| With lithium aluminium tetrahydride In tetrahydrofuran at 0 - 20℃; for 1.33333h; Inert atmosphere; | 99% |
| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate In methanol; 1,2-dimethoxyethane for 3h; Heating; | 99% |
| With lithium aluminium tetrahydride In diethyl ether at 0℃; for 1h; | 99% |
| With lithium aluminium tetrahydride In diethyl ether Heating; | 98% |
- 705-76-0
3,5-dimethoxybenzyl alcohol
| Conditions | Yield |
|---|---|
| With zinc trifluoromethanesulfonate In methanol at 0 - 20℃; for 0.666667h; chemoselective reaction; | 98% |
- 1523213-10-6
3,5-dimethoxy((triethylsilyloxy)methyl)benzene
- 705-76-0
3,5-dimethoxybenzyl alcohol
| Conditions | Yield |
|---|---|
| With zinc trifluoromethanesulfonate In methanol at 0 - 20℃; for 0.25h; chemoselective reaction; | 91% |
- 705-76-0
3,5-dimethoxybenzyl alcohol
| Conditions | Yield |
|---|---|
| With zinc trifluoromethanesulfonate In methanol at 0 - 20℃; for 1h; chemoselective reaction; | 89% |
| Conditions | Yield |
|---|---|
| With bis(η3-allyl-μ-chloropalladium(II)); 1-(2-bromophenyl)-3-(2,6-diisopropylphenyl)-4,5-dihydroimidazolinium chloride In tetrahydrofuran; water at 100℃; for 2h; Inert atmosphere; Sealed tube; | 86% |
- 17275-82-0
ethyl 3,5-dimethoxybenzoate
- 705-76-0
3,5-dimethoxybenzyl alcohol
| Conditions | Yield |
|---|---|
| With lithium aluminium tetrahydride In diethyl ether for 3h; Reduction; Heating; | 84% |
| With lithium aluminium tetrahydride In diethyl ether for 1h; Heating; | |
| With lithium aluminium tetrahydride In tetrahydrofuran at 20℃; for 3h; Inert atmosphere; |
- 115130-81-9
(1,1-dimethylethyl)diphenylsilyl 3,5-dimethoxybenzyl ether
- 705-76-0
3,5-dimethoxybenzyl alcohol
| Conditions | Yield |
|---|---|
| With zinc trifluoromethanesulfonate In methanol at 0 - 20℃; for 3h; chemoselective reaction; | 84% |
- 60319-09-7
3,5-dimethoxyphenyl trifluoromethanesulfonate
- 705-76-0
3,5-dimethoxybenzyl alcohol
| Conditions | Yield |
|---|---|
| With sodium carbonate; bis(dibenzylideneacetone)-palladium(0); ruphos In 1,4-dioxane; water for 10h; Suzuki-Miyaura cross-coupling; Inert atmosphere; Reflux; | 80.9% |
3,5-Dimethoxybenzyl alcohol Specification
The Benzenemethanol,3,5-dimethoxy- with CAS registry number of 705-76-0 is also known as (3,5-Dimethoxyphenyl)methan-1-ol. The IUPAC name is (3,5-Dimethoxyphenyl)methanol. It belongs to product categories of Benzhydrols, Benzyl & Special Alcohols; Alcohols; Anisoles, Alkyloxy Compounds & Phenylacetates; Building Blocks for Dendrimers; Functional Materials; C9 to C30;Oxygen Compounds. Its EINECS registry number is 211-888-6. In addition, the formula is C9H12O3 and the molecular weight is 168.19. This chemical is a white to yellow-beige crystalline solid that insoluble in water. It may cause inflammation to the skin or other mucous membranes that should be sealed in cool, dry place away from oxidants.
Physical properties about Benzenemethanol,3,5-dimethoxy- are: (1)ACD/LogP: 0.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.75; (4)ACD/LogD (pH 7.4): 0.75; (5)ACD/BCF (pH 5.5): 2.17; (6)ACD/BCF (pH 7.4): 2.17; (7)ACD/KOC (pH 5.5): 60.62; (8)ACD/KOC (pH 7.4): 60.62; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.521; (13)Molar Refractivity: 46.06 cm3; (14)Molar Volume: 151.2 cm3; (15)Surface Tension: 37.4 dyne/cm; (16)Density: 1.111 g/cm3; (17)Flash Point: 134.7 °C; (18)Enthalpy of Vaporization: 56.93 kJ/mol; (19)Boiling Point: 299.1 °C at 760 mmHg; (20)Vapour Pressure: 0.000543 mmHg at 25 °C.
Preparation of Benzenemethanol,3,5-dimethoxy-: it is prepared by reaction of 3,5-dimethoxy-benzaldehyde. The reaction needs reagent NaBH4 and solvent methanol at the temperature of 0 °C. The yield is about 93 %.
Uses of Benzenemethanol,3,5-dimethoxy-: it is used to produce 2-bromo-3,5-dimethoxy-benzyl alcohol. The reaction occurs with reagent NBS and solvent CHCl3 at the temperature of 45 °C. The yield is about 96 %.
When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing and gloves. Do not breathe dust and avoid contact with skin and eyes. 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. Canonical SMILES: COC1=CC(=CC(=C1)CO)OC
2. InChI: InChI=1S/C9H12O3/c1-11-8-3-7(6-10)4-9(5-8)12-2/h3-5,10H,6H2,1-2H3
3. InChIKey: AUDBREYGQOXIFT-UHFFFAOYSA-N
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