| Identification | More | [Name]
2-Benzothienylboronic acid | [CAS]
98437-23-1 | [Synonyms]
1-BENZOTHIEN-2-YLBORONIC ACID
1-BENZOTHIOPHEN-2-YLBORONIC ACID
1-BENZOTHIOPHENE-2-BORONIC ACID
2-BENZOTHIENYLBORONIC ACID
AKOS BRN-0028
BENZO[B]THIOPHEN-2-YLBORONIC ACID
BENZO[B]THIOPHENE-2-BORONIC ACID
BENZO[B]THIOPHENE-2-YLBORONIC ACID
BENZOTHIOPHEN-2-YLBORONIC ACID
BENZOTHIOPHENE-2-BORONIC ACID
BIO-FARMA BF000716
BZBTH2B
RARECHEM AH PB 0124
THIANAPHTHENE-2-BORONIC ACID
TIMTEC-BB SBB003765
1-BENZOTHIOPHEN-2-BORONSAEURE
Benzothien-2-yl Boronic Acid
Benzothiophene-2-boronic acid 97%
Benzo
Benzo[b]thiophene-2-ylboronic Acid (contains varying amounts of Anhydride) | [EINECS(EC#)]
671-850-3 | [Molecular Formula]
C8H7BO2S | [MDL Number]
MFCD01075674 | [Molecular Weight]
178.02 | [MOL File]
98437-23-1.mol |
| Chemical Properties | Back Directory | [Appearance]
white tooff-whitepowder | [Melting point ]
254-256 °C
| [Boiling point ]
390.2±34.0 °C(Predicted) | [density ]
1.35±0.1 g/cm3(Predicted) | [storage temp. ]
0-6°C | [solubility ]
soluble in Tetrahydrofuran | [form ]
Powder | [pka]
6.99±0.30(Predicted) | [color ]
White to off-white | [Water Solubility ]
Insoluble in water. | [BRN ]
1637924 | [InChI]
InChI=1S/C8H7BO2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5,10-11H | [InChIKey]
YNCYPMUJDDXIRH-UHFFFAOYSA-N | [SMILES]
B(C1SC2=CC=CC=C2C=1)(O)O | [CAS DataBase Reference]
98437-23-1(CAS DataBase Reference) |
| Questions And Answer | Back Directory | [Uses]
Thianaphthene-2-boronic Acid is used in the preparation of 3-(dihydroxyboryl)benzoic acids as D,D-carboxypeptidase R39 inhibitors. |
| 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 ]
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29349990 |
| Hazard Information | Back Directory | [Chemical Properties]
white tooff-whitepowder | [Synthesis]
The general procedure for the synthesis of benzothiophene-2-boronic acid from trimethyl borate and benzothiophene was as follows: 144 g (554 mmol) of benzothiophene and 1,000 mL of tetrahydrofuran were added to a 2L reactor and mixed with stirring. After cooling the reaction mixture to -78 °C, 415 mL of n-butyllithium (1.6 M hexane solution) was slowly added dropwise and stirred for 1 hour at this temperature. Subsequently, the temperature of the reaction mixture was gradually brought to room temperature and kept stirring for 12 hours. After cooling again to -78 °C, 80.3 mL (664 mmol) of trimethyl borate was slowly added dropwise and stirred at room temperature for 2 hours. After completion of the reaction, the mixture was cooled to 0°C and acidified by adding 2N aqueous hydrochloric acid. Extraction was separated with ethyl acetate and distilled water and the organic layer was collected. The organic layer was concentrated under reduced pressure and filtered to give 86 g of the intermediate benzothiophene-2-boronic acid in 87.3% yield. | [References]
[1] Patent: KR2016/2328, 2016, A. Location in patent: Paragraph 0413-0415 |
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