4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate - Names and Identifiers

Name	4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
Synonyms	4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid 4,5,6,7-Tetrahydro-1-benzothiophene-2-carboxylic acid benzo[b]thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro- Benzo[b]thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro- 4,5,6,7-Tetrahydro-1-benzothiophene-2-carboxylic acid, 2-Carboxy-4,5,6,7-tetrahydrobenzo[b]thiophene, 2-Carboxy-4,5,6,7-tetrahydro-1-benzothiophene
CAS	40133-07-1
InChI	InChI=1/C9H10O2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h5H,1-4H2,(H,10,11)/p-1

4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate - Physico-chemical Properties

Molecular Formula	C9H10O2S
Molar Mass	182.24
Density	1.317±0.06 g/cm3(Predicted)
Melting Point	196℃
Boling Point	368.1±42.0 °C(Predicted)
Flash Point	176.4°C
Water Solubility	Sparingly soluble in water.(0.26 g/L) (25°C),
Vapor Presure	4.55E-06mmHg at 25°C
Appearance	Crystalline Powder
Color	White
pKa	3.91±0.20(Predicted)
Storage Condition	2-8°C(protect from light)

4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate - Risk and Safety

Hazard Class

IRRITANT

4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate - Introduction

4,5,6, is an organic compound whose molecular formula is C11H12O2S.

Nature:
-Appearance: 4,5,6, White crystal or white powder.
-Solubility: Soluble in common organic solvents such as ethanol, dimethylformamide (DMF) and dimethyl sulfoxide (DMSO), etc., insoluble in water.
-Melting point: about 100-104°C.

Use:
- 4,5,6, can be used as intermediates in organic synthesis for the preparation of various organic substances, such as drugs and dyes.

Preparation Method:
4,5,6, is usually synthesized by the following steps:
1. 5-chloro-2-nitrobenzothiophene and cyclohexane are reacted in the presence of cuprous chloride to obtain 5-nitro-2-cyclohexylbenzothiophene.
2.5-nitro -2-cyclohexylbenzothiophene reacts with sodium o-phthalate to generate 4,5,6,7-tetrahydrobenzo [B] thiophene.
3. 4,5,6, 7-tetrahydrobenzo [B] thiophene reacts with formic acid to obtain the final product 4,5,6, 2.

Safety Information:
For specific toxicity and safety information on 4,5,6, and calcium, it is generally necessary to refer to the safety data sheet and operating manual of the compound. Necessary safety precautions should be taken when using the compound, such as wearing appropriate personal protective equipment (e. g. gloves, glasses, protective masks and lab clothes) and avoiding inhalation, contact with skin and ingestion. At the same time, it should be handled in a well-ventilated area, and the compound should be stored and handled properly.

Last Update：2024-04-09 21:54:55