4-Methylthiophene-2-boronic acid
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4-Methylthiophene-2-boronic acid
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CAS No:
162607-15-0
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Formula:
C5H7BO2S
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Chemical Name:
4-Methylthiophene-2-boronic acid
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Synonyms:
RARECHEM AH PB 0204;4-METHYLTHIOPHENE-2-BORONIC ACID;4-METHYL-2-THIENYLBORIC ACID;4-METHYL-2-THIENYLBORONIC ACID;4-METHYLTHIOPHENE-2-BORONIC ACID 96%;4-Methylthiophene-2-boronic acid,96%;4-Methylthiophene-2-boronic acid4-Methyl-2-thienylboric acid;(4-methyl-2-thienyl)boronic acid(SALTDATA: 4H2O)
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CAS No:
Characteristics
68.7
-0.26370
White to light beige Powder
1.25±0.1 g/cm3(Predicted)
125-126 °C
305.4±44.0 °C(Predicted)
138.5±28.4 °C
1.551
0-6°C
0.00036mmHg at 25°C
Safety Information
IRRITANT, KEEP COLD
36/37/38-41-37/38
37/39-26-39
Xi
Irritant
|Warning|H315 (100%): 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 4 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-Methylthiophene-2-boronic acid Use and Manufacturing
(2) The intermediate obtained in the step (1) is hydrolyzed with 0.03 mol of hydrochloric acid at 20 C for 5 h, and after extraction and purification, General procedure: A mixture of 2, 4-dichloropyrimidine (6.71 mmol), ary-boronic acid (6.71 mmol). DMF or dioxane (10 ml) was added to the above mixture followed by aqueous sodium carbonate (2 M, 6 ml, ). The reaction mixture was degassed with argon for 15 min. Pd(PPh3)4 (50 mg, 0.17 mmol) was added and again degassed 5 min. The reaction mixture was maintained at rt for 12 h. The mixture was subsequently filtered and the remaining solid was washed with EtOAc. The filtrate was washed again with water and brine. The organic layer was separated, dried with anhydrous Na2SO4 and filtered. The organic layer was purified by silica gel column chromatography to give the desired product.
Computed Properties
Molecular Weight:141.99
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:142.0259808
Monoisotopic Mass:142.0259808
Topological Polar Surface Area:68.7
Heavy Atom Count:9
Complexity:99
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-Methylthiophene-2-boronic acid
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