| Identification | More | [Name]
2-Bromomethylphenylboronic acid | [CAS]
91983-14-1 | [Synonyms]
2-(BROMOMETHYL)BENZENEBORONIC ACID
2-BROMOMETHYLPHENYLBORONIC ACID
RARECHEM AH PB 0060
2-Boronobenzyl bromide
2-Bromomethylphenylboronic
2-(Bromomethyl)benzeneboronic acid 95% | [EINECS(EC#)]
626-180-6 | [Molecular Formula]
C7H8BBrO2 | [MDL Number]
MFCD01318941 | [Molecular Weight]
214.85 | [MOL File]
91983-14-1.mol |
| Chemical Properties | Back Directory | [Melting point ]
158-162 °C | [Boiling point ]
358.5±44.0 °C(Predicted) | [density ]
1.57±0.1 g/cm3(Predicted) | [storage temp. ]
2-8°C | [form ]
crystalline powder | [pka]
8.44±0.58(Predicted) | [color ]
Faint orange | [InChI]
InChI=1S/C7H8BBrO2/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4,10-11H,5H2 | [InChIKey]
MYVJCOQGXCONPE-UHFFFAOYSA-N | [SMILES]
B(C1=CC=CC=C1CBr)(O)O | [CAS DataBase Reference]
91983-14-1(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi,Xn | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S36/37:Wear suitable protective clothing and gloves .
S36:Wear suitable protective clothing . | [RIDADR ]
3261 | [WGK Germany ]
3 | [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [PackingGroup ]
III | [HS Code ]
2931900090 |
| Hazard Information | Back Directory | [Uses]
Reactant involved in:
- Studies of carbon-boron bond cleavage of phenylboronate-pendant cyclen
- Development of a sensory system to detect glucose or other monosaccharides and hydroxycarboxylates
- Synthesis of boronated triaryl and tetraaryl phosphonium salts used in cytotoxicity studies
- Colorimetry and fluorometry mercury determination with chemosensors composed of rhodamine and boronic acid groups
- Synthesis of imidazolium-containing boronic acids used as fluoride ion sensors
- Reactions with adenine for molecules with antiinflammatory antitumor activities?
| [Uses]
suzuki reaction | [Synthesis Reference(s)]
Journal of the American Chemical Society, 80, p. 835, 1958 DOI: 10.1021/ja01537a021 | [General Description]
May contain varying amounts of anhydride. | [Synthesis]
General procedure for the synthesis of 2-(bromomethyl)benzeneboronic acid from 2-methylbenzeneboronic acid: 14.8 g (0.11 mol) of 2-methylbenzeneboronic acid was added to a 500 mL round bottom flask, followed by the addition of 380 mL of carbon tetrachloride, which was heated slightly until dissolved. A bromine solution was prepared by dissolving 17.9 g of bromine in 85 mL of carbon tetrachloride under light conditions. At the beginning of the reaction, a portion of the bromine solution was added quickly to keep the reaction solution light yellow. After the reaction was carried out for 2 hours, the reaction mixture was bleached with alkaline solution and subsequently filtered. The filter cake was washed five times with carbon tetrachloride and three times with hexane. Finally, the product was dried under vacuum to give 19.97 g of white powdery solid in 84.6% yield. | [References]
[1] Patent: CN103497211, 2016, B. Location in patent: Paragraph 0242; 0243
[2] Tetrahedron Letters, 2001, vol. 42, # 34, p. 5875 - 5877
[3] Russian Chemical Bulletin, 2005, vol. 54, # 11, p. 2602 - 2611
[4] Russian Chemical Bulletin, 2004, vol. 53, # 2, p. 370 - 375
[5] Chinese Journal of Chemistry, 2011, vol. 29, # 11, p. 2445 - 2450 |
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