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
4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CAS: 40133-07-1
Molecular Formula: C9H10O2S
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 - Names and Identifiers
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 - 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-carboxylic acid, 2-Carboxy-4,5,6,7-tetrahydrobenzo[b]thiophene, 2-Carboxy-4,5,6,7-tetrahydro-1-benzothiophene - Risk and Safety
| Hazard Class | IRRITANT |
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 - 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.
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
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