2-Carboxyphenylboronic acid
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2-Carboxyphenylboronic acid
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CAS No:
149105-19-1
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Formula:
C7H7BO4
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Chemical Name:
2-Carboxyphenylboronic acid
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Synonyms:
2-BORONOBENZOIC ACID;2-CARBOXYBENZENEBORONIC ACID;2-CARBOXYPHENYLBORONIC ACID;(2-DIHYDROXYBORONYL)BENZOIC ACID;2-(DIHYDROXYBORYL)BENZOIC ACID;RARECHEM AH PB 0146;O-CARBOXYPHENYLBORONIC ACID;2-CarboxyphenylboronicAcid97+%
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CAS No:
Characteristics
77.8
-0.93540
White powder
1.40±0.1 g/cm3(Predicted)
138-141°C
412.3±47.0 °C(Predicted)
203.2±29.3 °C
1.585
Keep Cold
1.54E-07mmHg at 25°C
Safety Information
IRRITANT
36/37/38-20/21/22-36/37
26-36/37/39-36
Xi,Xn
Irritant/Keep Cold
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (15.56%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 45 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-Carboxyphenylboronic acid Use and Manufacturing
Under nitrogen protection, the o-bromophenylboronic acid trimer obtained above was added to 600 ml of anhydrous tetrahydrofuran to dissolveAfter homogenization, transferred to a 2L three-necked flask, cooled to -10 ° C and started dropwise with 1 M isopropylmagnesium chloride 1.2 L (1.2 mol). Join to maintain the temperature to continue stirring reaction 1-3 hours, Afterwards, the temperature is naturally raised to room temperature and stirred for 2-5 hours. The system was cooled to 0 ° C, in three batches of dry ice after adding the reaction was stirred, TLC detection reaction was completed. The reaction was quenched by adding 15percent aqueous hydrochloric acid, Adjust the pH to 1-2 continue stirring 3-5 hours at room temperature to ensure complete trimerization hydrolysis. The solid precipitated, filtered and recrystallized from water and ethanol gave 81.4 g of o-carboxyphenylboronic acid as white solid, HPLC: 98.4percent. The overall yield for two steps was 49percent.
Computed Properties
Molecular Weight:165.94
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:166.0437389
Monoisotopic Mass:166.0437389
Topological Polar Surface Area:77.8
Heavy Atom Count:12
Complexity:171
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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