2-Benzothienylboronic acid
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2-Benzothienylboronic acid
structure -
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CAS No:
98437-23-1
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Formula:
C8H7BO2S
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Chemical Name:
2-Benzothienylboronic acid
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Synonyms:
RARECHEM AH PB 0124;TIMTEC-BB SBB003765;THIANAPHTHENE-2-BORONIC ACID;BENZO[B]THIOPHENE-2-YLBORONIC ACID;BENZO[B]THIOPHENE-2-BORONIC ACID;BENZO[B]THIOPHEN-2-YLBORONIC ACID;BENZOTHIOPHEN-2-YLBORONIC ACID;BENZOTHIOPHENE-2-BORONIC ACID
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CAS No:
2-Benzothienylboronic acid Basic Attributes
178.02
178.025986
1637924
-0
SME05QG1FJ
DTXSID80274363
29349990
Characteristics
68.7
0.58110
White to off-white Powder
1.4±0.1 g/cm3
254-256 °C
390.2°C at 760 mmHg
189.8±25.7 °C
1.669
Insoluble in water.
0-6°C
Safety Information
IRRITANT
NONH for all modes of transport
3
36/37/38-20/21/22
37/39-26-36
Xi,Xn
Irritant
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501
H302
|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 11 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Drug Information
Endogenous substances and drugs that inhibit or block the activity of BETA-LACTAMASES. (See all compounds classified as beta-Lactamase Inhibitors.)
benzo(b)thiophene-2-boronic acid
2-Benzothienylboronic acid Use and Manufacturing
Benzothiophene into a 144 g (554 mmol) and 1000 mL of tetrahydrofuran in the 2L reactor and stirred. After cooling to -78 ° C, was added dropwise 415 mL of nbutyllithium(1.6M hexane solution) and stirred for 1 hour. After stirring thetemperature was raised to room temperature for 12 hours, cooled to -78 ° C andwarming up to room temperature and then added dropwise trimethylborate 80.3 mL(664 mmol) was stirred for 2 hours. After cooling to -0 ° C, into a 2N aqueoushydrochloric acid solution and extracted using ethyl acetate and distilled water. Wasstirred into the formed organic layer was concentrated under reduced pressure and hexane and then filtered to give the intermediate 1-e 86 g (yield 87.3percent).
suzuki reaction
Computed Properties
Molecular Weight:178.02
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:178.0259808
Monoisotopic Mass:178.0259808
Topological Polar Surface Area:68.7
Heavy Atom Count:12
Complexity:165
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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