| Identification | More | [Name]
3,5-DIMETHOXYBENZYL BROMIDE | [CAS]
877-88-3 | [Synonyms]
3,5-DIMETHOXYBENZYL BROMIDE
ALPHA-BROMO-3,5-DIMETHOXYTOLUENE
1-(Bromomethyl)-3,5-dimethoxybenzene
3,5-DIMETHOXYBENZYLBROMID
Benzene, 1-(bromomethyl)-3,5-dimethoxy- | [Molecular Formula]
C9H11BrO2 | [MDL Number]
MFCD01321368 | [Molecular Weight]
231.09 | [MOL File]
877-88-3.mol |
| Chemical Properties | Back Directory | [Melting point ]
69-70 °C (lit.) | [Boiling point ]
292.1±25.0 °C(Predicted) | [density ]
1.384±0.06 g/cm3(Predicted) | [storage temp. ]
Refrigerator | [solubility ]
soluble in Methanol | [form ]
Crystalline Powder | [color ]
White to brown | [InChI]
InChI=1S/C9H11BrO2/c1-11-8-3-7(6-10)4-9(5-8)12-2/h3-5H,6H2,1-2H3 | [InChIKey]
BTHIGJGJAPYFSJ-UHFFFAOYSA-N | [SMILES]
C1(CBr)=CC(OC)=CC(OC)=C1 | [CAS DataBase Reference]
877-88-3(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
C | [Risk Statements ]
R34:Causes burns. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S27:Take off immediately all contaminated clothing .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . | [RIDADR ]
UN 3261 8/PG 2
| [WGK Germany ]
3
| [HazardClass ]
8 | [PackingGroup ]
II | [HS Code ]
29093090 |
| Raw materials And Preparation Products | Back Directory | [Raw materials]
Methanol-->Sodium borohydride-->Phosphorus tribromide-->3,5-Dimethoxybenzaldehyde-->3,5-Dimethoxybenzyl alcohol-->Benzene | [Preparation Products]
3,5-Dimethoxytoluene-->5-(Bromomethyl)benzene-1,3-diol-->(3,5-DIMETHOXYBENZYL)TRIPHENYLPHOSPHONIUM BROMIDE-->4-(3,5-DIMETHOXYPHENYL)-1-BUTENE-->Propanedioic acid, [(3,5-dimethoxyphenyl)methyl]-, diethyl ester-->3,5-DIMETHOXYPHENYLACETONITRILE |
| Questions And Answer | Back Directory | [Uses]
3,5-Dimethoxybenzyl bromide may be used in various organic synthesis such as 3,4,3′,5′-tetramethoxystilbene; 3,5-dimethoxyphenylacetic acid; 1-(3,5-dimethoxyphenyl)-4-pentene etc., and 3,5-Dimethoxybenzyl bromide may be used as starting material in the multi-step synthesis of resveratroland 3,5-dimethoxyhomophthalic acid.
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| Hazard Information | Back Directory | [Chemical Properties]
3,5-DIMETHOXYBENZYL BROMIDE is White Solid
| [General Description]
3,5-Dimethoxybenzyl bromide is an aromatic bromide. | [Synthesis]
General procedure for the synthesis of 3,5-dimethoxybenzyl bromide from 3,5-dimethoxybenzyl alcohol: 3,5-dimethoxybenzyl alcohol (1 mmol) was dissolved in anhydrous benzene (15 mL) under anhydrous conditions and phosphorus tribromide (0.5 mL) was added. The reaction mixture was stirred at room temperature until the reaction was complete. The target product 3,5-dimethoxybenzyl bromide was obtained in quantitative yield by conventional post-treatment. | [References]
[1] Journal of Steroid Biochemistry and Molecular Biology, 2013, vol. 137, p. 332 - 344
[2] Journal of Asian Natural Products Research, 2011, vol. 13, # 4, p. 290 - 296
[3] Patent: WO2016/164703, 2016, A1. Location in patent: Page/Page column 41
[4] Bioorganic and Medicinal Chemistry Letters, 2012, vol. 22, # 24, p. 7683 - 7687
[5] Medicinal Chemistry Research, 2016, vol. 25, # 4, p. 627 - 643 |
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