Methyl 6-chlorobenzo[b]thiophene-2-carboxylate
- Product Name
- Methyl 6-chlorobenzo[b]thiophene-2-carboxylate
- CAS No.
- 104795-85-9
- Chemical Name
- Methyl 6-chlorobenzo[b]thiophene-2-carboxylate
- Synonyms
- Methyl 6-Chlorobenzothiophene-2-carboxylate;Methyl 6-chlorobenzo[b]thiophene-2-carboxylate;6-Chloro-benzo[b]thiophene-2-carboxylic acid methyl ester;Benzo[b]thiophene-2-carboxylic acid, 6-chloro-, methyl ester;Methyl 6-chloro-1-benzothiophene-2-carboxylate, 6-Chloro-2-(methoxycarbonyl)benzo[b]thiophene
- CBNumber
- CB9956809
- Molecular Formula
- C10H7ClO2S
- Formula Weight
- 226.68
- MOL File
- Mol file
Methyl 6-chlorobenzo[b]thiophene-2-carboxylate Property
- Melting point:
- 107-109
- Boiling point:
- 338.7±22.0 °C(Predicted)
- Density
- 1.391±0.06 g/cm3(Predicted)
- storage temp.
- 2-8°C(protect from light)
- Appearance
- Off-white to light yellow Solid
Safety
- Hazard Note
- Irritant
- HS Code
- 2934999090
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H227Combustible liquid
H302Harmful if swallowed
H319Causes serious eye irritation
- Precautionary statements
-
P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P270Do not eat, drink or smoke when using this product.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P337+P313IF eye irritation persists: Get medical advice/attention.
P370+P378In case of fire: Use … for extinction.
P403+P235Store in a well-ventilated place. Keep cool.
P501Dispose of contents/container to..…
N-Bromosuccinimide Price
- Product number
- OR14067
- Product name
- Methyl 6-chlorobenzo[b]thiophene-2-carboxylate
- Packaging
- 1g
- Price
- $94
- Updated
- 2021/12/16
- Product number
- 047310
- Product name
- Methyl 6-chloro-1-benzothiophene-2-carboxylate
- Purity
- >95%
- Packaging
- 500mg
- Price
- $104
- Updated
- 2021/12/16
- Product number
- 6H23-5-04
- Product name
- Methyl 6-chlorobenzo[b]thiophene-2-carboxylate
- Packaging
- 1g
- Price
- $111
- Updated
- 2021/12/16
- Product number
- 047310
- Product name
- Methyl 6-chloro-1-benzothiophene-2-carboxylate
- Purity
- >95%
- Packaging
- 1g
- Price
- $139
- Updated
- 2021/12/16
- Product number
- 1064AA
- Product name
- Methyl6-chlorobenzo[b]thiophene-2-carboxylate
- Packaging
- 1g
- Price
- $177
- Updated
- 2021/12/16
Methyl 6-chlorobenzo[b]thiophene-2-carboxylate Chemical Properties,Usage,Production
Synthesis
5551-11-1
2365-48-2
104795-85-9
1. To a 7 mL solution of DMF containing 600 mg (3.23 mmol) of 4-chloro-2-nitrobenzaldehyde was added 559 mg (4.04 mmol) of potassium carbonate and 294 μL (3.23 mmol) of methyl mercaptoacetate sequentially at 0°C. The reaction mixture was stirred for 30 minutes at 0°C, then warmed to room temperature and stirred for 24 hours. The reaction mixture was stirred at 0°C for 30 minutes, then warmed to room temperature and continued stirring for 24 hours. 2. The reaction mixture was slowly poured into ice water, the precipitate was collected by filtration and dissolved in ethyl acetate. The organic phase was dried over anhydrous magnesium sulfate and concentrated under reduced pressure to give 630 mg (86% yield) of methyl 6-chlorobenzo[b]thiophene-2-carboxylate as a white solid.1H NMR (CDCl3, 300 MHz): δ 3.95 (s, 3H), 7.88 (dd, J = 8.6, 1.9 Hz, 1H), 7.79 (d, J = 8.6 Hz, 1H), 7.85 (d, J = 8.6 Hz, 1H), 7.79 (d, J = 8.6 Hz, 1H). 7.85 (d, J = 1.9 Hz, 1H), 8.02 (s, 1H). 3. To a 5 mL THF solution of 630 mg (2.78 mmol) methyl 6-chlorobenzo[b]thiophene-2-carboxylate was added 6.95 mL of 1N LiOH solution and stirred for 4 hours at room temperature. Upon completion of the reaction, the pH was adjusted to 2-3 with 1N HCl and subsequently extracted with ethyl acetate. The organic phases were combined, washed with brine, dried over anhydrous magnesium sulfate, and concentrated under reduced pressure to give 579 mg (98% yield) of 6-chlorobenzo[b]thiophene-2-carboxylic acid as a white solid.MS (ISP): 211.0 (M-H)-. 4. 139 mg (0.65 mmol) of 6-chlorobenzo[b]thiophene-2-carboxylic acid was converted to 52 mg (0.14 mmol) of (6-chlorobenzo[b]thiophen-2-ylmethyl)-[2-(3,4-dichlorophenyl)ethyl]amine by reference to the method of Example S3 (Steps a to b), the product was a colorless liquid.MS (ISP): 370.0 (M+H )+.
References
[1] Patent: US2007/185113, 2007, A1. Location in patent: Page/Page column 13
Methyl 6-chlorobenzo[b]thiophene-2-carboxylate Preparation Products And Raw materials
Raw materials
Preparation Products
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