METHYL BENZO[B]THIOPHENE-2-CARBOXYLATE
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![METHYL BENZO[B]THIOPHENE-2-CARBOXYLATE structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/fa923b1522b04ec599d12e698e8d40d6.png "METHYL BENZO[B]THIOPHENE-2-CARBOXYLATE")
METHYL BENZO[B]THIOPHENE-2-CARBOXYLATE
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CAS No:
22913-24-2
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Formula:
C10H8O2S
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Chemical Name:
METHYL BENZO[B]THIOPHENE-2-CARBOXYLATE
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Synonyms:
RARECHEM AL BF 0483;METHYL BENZO[B]THIOPHENE-2-CARBOXYLATE;METHYL THIANAPHTHENE-2-CARBOXYLATE;BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER;BUTTPARK 86\18-02;AKOS 91623;Benzo[b]thiophene-2-carboxylic acid methyl ester~Methyl thianaphthene-2-carboxylate~Thianaphthene-2-carboxylic acid methyl ester;Benzothiophene-2-Carboxylic Acid Methyl Ester
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CAS No:
METHYL BENZO[B]THIOPHENE-2-CARBOXYLATE Basic Attributes
192.23
192.02500
142166
0
DTXSID50384160
2934999090
Safety Information
3
36/37/38
26
Xi
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 (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 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
METHYL BENZO[B]THIOPHENE-2-CARBOXYLATE Use and Manufacturing
The compound 2-benzothiophenecarboxylic acid (0901-137) (1.0 g, 5.61 mmol, 1.0 equiv) was added to 20 ml of methanol, Then add concentrated sulfuric acid (0.1 g), The mixture was stirred at 60 °C for 16 hours.After completion of the reaction, 50 ml of a saturated aqueous sodium hydrogencarbonate solution was added and the mixture was extracted with ethyl acetate. The organic phase was washed with saturated brine, dried over anhydrous sodium sulfate, and concentrated under reduced pressure to give the target product 2-benzothiophenecarboxylic acid methyl ester (1.05). g, yield 97.4percent) as a white solidGeneral procedure: n-BuLi (1.67 M solution in hexane, 1.3 mL, 2.2 mmol) was added dropwise into a solution of p-bromoanisole (383 mg, 2.0 mmol) in THF (3 mL) at -78 °C for 30 min. Then, DMF (0.22 mL, 2.2 mmol) was added to the mixture and the obtained mixture was stirred at rt. After 2 h at the same temperature, THF was removed. Then, MeOH (3 mL) was added to the residue and the mixture was stirred at room temperature. After 30 min, I
Computed Properties
Molecular Weight:192.24
XLogP3:3.1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:192.02450067
Monoisotopic Mass:192.02450067
Topological Polar Surface Area:54.5
Heavy Atom Count:13
Complexity:205
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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METHYL BENZO[B]THIOPHENE-2-CARBOXYLATE
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