4-CHLORO-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID
- Product Name
- 4-CHLORO-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID
- CAS No.
- 23967-57-9
- Chemical Name
- 4-CHLORO-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID
- Synonyms
- FMX14276-A3;IFLAB-BB F2124-0584;Brexpiprazole Impurity 28;4-chloro-1-benzothiophene-2-carboxylate;4-chloro-2-benzothiophenecarboxylic acid;4-Chlorobenzothiophene-2-carboxylic acid;4-CHLORO-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID;4-CHLORO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID;Benzo[b]thiophene-2-carboxylic acid, 4-chloro-;N-?[N-?(N-?glycylglycyl)?glycyl]?-?5-?L-?β-?asparticacid-?8-?L-?lysine-Vasopressin
- CBNumber
- CB6780539
- Molecular Formula
- C9H5ClO2S
- Formula Weight
- 212.65
- MOL File
- 23967-57-9.mol
4-CHLORO-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID Property
- Melting point:
- 220-223
- Boiling point:
- 408.6±25.0 °C(Predicted)
- Density
- 1.546±0.06 g/cm3(Predicted)
- storage temp.
- 2-8°C(protect from light)
- pka
- 3.28±0.30(Predicted)
- form
- Crystalline Powder
- color
- White to off-white
- InChI
- InChI=1S/C9H5ClO2S/c10-6-2-1-3-7-5(6)4-8(13-7)9(11)12/h1-4H,(H,11,12)
- InChIKey
- IPAXPERGAMNMIJ-UHFFFAOYSA-N
- SMILES
- C12=CC=CC(Cl)=C1C=C(C(O)=O)S2
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P405Store locked up.
N-Bromosuccinimide Price
- Product number
- C3430
- Product name
- 4-Chlorobenzo[b]thiophene-2-carboxylic Acid
- Purity
- >97.0%(GC)
- Packaging
- 1g
- Price
- $88
- Updated
- 2025/07/31
- Product number
- C3430
- Product name
- 4-Chlorobenzo[b]thiophene-2-carboxylic Acid
- Purity
- >97.0%(GC)
- Packaging
- 5g
- Price
- $352
- Updated
- 2025/07/31
- Product number
- C364160
- Product name
- 4-Chlorobenzo[b]thiophene-2-carboxylic Acid
- Packaging
- 5g
- Price
- $195
- Updated
- 2021/12/16
- Product number
- 047319
- Product name
- 4-Chloro-1-benzothiophene-2-carboxylic acid
- Purity
- >95%
- Packaging
- 1g
- Price
- $228
- Updated
- 2021/12/16
- Product number
- FC135429
- Product name
- 4-Chloro-1-benzothiophene-2-carboxylic acid
- Packaging
- 2g
- Price
- $235
- Updated
- 2021/12/16
4-CHLORO-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID Chemical Properties,Usage,Production
Uses
4-Chlorobenzo[b]thiophene-2-carboxylic Acid is an intermediate used to prepare histone deacetylase inhibitors.
Synthesis
35212-95-4
23967-57-9
General procedure for the synthesis of 4-chlorobenzo[b]thiophene-2-carboxylic acid from methyl 4-chlorobenzo[b]thiophene-2-carboxylate: Methyl 4-chlorobenzo[b]thiophene-2-carboxylate (1.0 g, 4.44 mmol) and LiOH-H2O (0.56 g, 13.3 mmol) were mixed in a solvent mixture of methanol (30 mL) and water (10 mL), and the reaction was carried out at room temperature. The reaction was carried out overnight. After completion of the reaction, the reaction mixture was concentrated under vacuum and the residue was diluted with ice water (20 mL). The aqueous phase was acidified with dilute hydrochloric acid solution to pH=1. The acidified mixture was extracted with ethyl acetate (15 mL x 3). The organic layers were combined, washed with saturated brine, dried over anhydrous Na2SO4, and the solvent was evaporated under vacuum to give 4-chlorobenzo[b]thiophene-2-carboxylic acid as a white solid (0.94 g, 100% yield).1H NMR (400 MHz, CDCl3) δ 8.10-8.02 (m, 2H), 7.61-7.51 (m, 2H).
References
[1] Patent: WO2012/155352, 2012, A1. Location in patent: Page/Page column 50
[2] Patent: WO2012/155676, 2012, A1. Location in patent: Page/Page column 54
[3] Patent: WO2012/158396, 2012, A1. Location in patent: Page/Page column 54
[4] Patent: WO2016/191366, 2016, A1. Location in patent: Page/Page column 35
[5] Journal of Medicinal Chemistry, 2007, vol. 50, # 20, p. 4793 - 4807
4-CHLORO-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 4-CHLORO-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID manufacturers
- Product
- 4-CHLORO-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID 23967-57-9
- Price
- US $6.60/KG
- Min. Order
- 1KG
- Purity
- 97%-99%
- Supply Ability
- 1kg-1000kg
- Release date
- 2019-12-25