Benzo[b]thiophene-3-carbaldehyde

Name: Benzo[b]thiophene-3-carbaldehyde
Brand: MedChemExpress
SKU: HY-W002251
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Cat. No.: HY-W002251 Pureté: 98.71%: Fiche technique
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Benzo[b]thiophene-3-carbaldehyde is a 3-formyl-substituted benzo[b]thiophene derivative that acts as an oxidizable substrate to convert to benzo[b]thiophene-3-carboxylic acid under liquid-phase conditions. Compared with analogs such as benzaldehyde and thiophene-2-carbaldehyde, Benzo[b]thiophene-3-carbaldehyde has lower oxidation difficulty, and can significantly increase the reaction rate in the presence of initiators (such as Na⁺Br^- or DBA). Benzo[b]thiophene-3-carbaldehyde also serves as a key starting material for the synthesis of compounds including heteroaryl chalcones.

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Benzo[b]thiophene-3-carbaldehyde Chemical Structure

CAS No. : 5381-20-4

Size	Stock	Quantité
Solid + Solvent (Highly Recommended)
10 mM * 1 mL in DMSO ready for reconstitution	En stock	Estimated Time of Arrival: December 31
Solution
10 mM * 1 mL in DMSO	En stock	Estimated Time of Arrival: December 31
Solid
500 mg	En stock	Estimated Time of Arrival: December 31
1 g	En stock	Estimated Time of Arrival: December 31
5 g	En stock	Estimated Time of Arrival: December 31
10 g	En stock	Estimated Time of Arrival: December 31
50 g	Obtenir un devis

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Description

In Vitro

Benzo[b]thiophene-3-carbaldehyde (0.518 M; 60 h without initiator, 6 h with initiator NaBr or DBA) is readily oxidized to benzo[b]thiophene-3-carboxylic acid, with initiators (NaBr or DBA) drastically reducing reaction time from 60 h to 6 h at a concentration of 0.518 M^[2].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Masse moléculaire

162.21

Formule

C₉H₆OS

CAS No.

5381-20-4

Appearance

Solid

Color

Yellow to brown

SMILES

O=CC1=CSC2=CC=CC=C12

Livraison

Room temperature in continental US; may vary elsewhere.

Stockage

4°C, protect from light, stored under nitrogen

*In solvent : -80°C, 6 months; -20°C, 1 month (protect from light, stored under nitrogen)

Solvant et solubilité

In Vitro:

DMSO : 100 mg/mL (616.48 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

Preparing
Stock Solutions

Concentration Solvent Mass	1 mg	5 mg	10 mg

1 mM	6.1648 mL	30.8242 mL	61.6485 mL
5 mM	1.2330 mL	6.1648 mL	12.3297 mL
10 mM	0.6165 mL	3.0824 mL	6.1648 mL

View the Complete Stock Solution Preparation Table

* Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month (protect from light, stored under nitrogen). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

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Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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Working solution concentration: mg/mL

Pureté et documentation

Purity: 99.77%

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Fiche technique (273 KB) SDS (394 KB)

COA (250 KB) HNMR (184 KB) RP-HPLC (314 KB)

Instruction de manipulation (2659 KB)

Références

[1]. Patel P N, et al. Synthesis, single crystal structure and spectroscopic aspects of Benzo [b] thiophene-3-carbaldehyde based chalcones[J]. Journal of Chemical Crystallography, 2016, 46(5): 245-251.

[2]. Shchedrinskaya T V, et al. An investigation of condensed heteroaromatic systems including a thiophene ring: XXV. Catalytic liquid-phase oxidation of some substituted benzo [b] thiophenes[J]. Chemistry of Heterocyclic Compounds, 1973, 9(8): 953-959.

Complete Stock Solution Preparation Table

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg

DMSO	1 mM	6.1648 mL	30.8242 mL	61.6485 mL	154.1212 mL
	5 mM	1.2330 mL	6.1648 mL	12.3297 mL	30.8242 mL
	10 mM	0.6165 mL	3.0824 mL	6.1648 mL	15.4121 mL
	15 mM	0.4110 mL	2.0549 mL	4.1099 mL	10.2747 mL
	20 mM	0.3082 mL	1.5412 mL	3.0824 mL	7.7061 mL
	25 mM	0.2466 mL	1.2330 mL	2.4659 mL	6.1648 mL
	30 mM	0.2055 mL	1.0275 mL	2.0549 mL	5.1374 mL
	40 mM	0.1541 mL	0.7706 mL	1.5412 mL	3.8530 mL
	50 mM	0.1233 mL	0.6165 mL	1.2330 mL	3.0824 mL
	60 mM	0.1027 mL	0.5137 mL	1.0275 mL	2.5687 mL
	80 mM	0.0771 mL	0.3853 mL	0.7706 mL	1.9265 mL
	100 mM	0.0616 mL	0.3082 mL	0.6165 mL	1.5412 mL