4,5,6,7-Tetrahydrobenzo[b]thiophene, 97%

Description

CAS: 13129-17-4 | C8H10S | 138.228 g/mol

It is an active pharmaceutical intermediate. Condensation of amino carboxyalkyl derivative of 4,5,6,7-tetrahydrobenzo[b]thiophene with salicylaldehyde yielded a potentially tridentate Schiff base (HSAT), which formed a series of copper(II) complexes. Reaction of ethyl 2-diazo-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate 1 with 3-iminobutyronitrile 2 gave the hydrazone derivative.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
It is an active pharmaceutical intermediate. Condensation of amino carboxyalkyl derivative of 4,5,6,7-tetrahydrobenzo[b]thiophene with salicylaldehyde yielded a potentially tridentate Schiff base (HSAT), which formed a series of copper(II) complexes. Reaction of ethyl 2-diazo-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate 1 with 3-iminobutyronitrile 2 gave the hydrazone derivative.

Notes
Air sensitive. Store at room temperature. Keep container tightly closed in a dry and well-ventilated place.

Specifications

Chemical Identifiers

• CAS: 13129-17-4
• Molecular Formula: C8H10S
• Molecular Weight (g/mol): 138.228
• MDL Number: MFCD19442759
• InChI Key: CBKDCOKSXCTDAA-UHFFFAOYSA-N
• Synonym: 4,5,6,7-tetrahydrobenzo b thiophene, benzothiophene, 4,5,6,7-tetrahydro, 4,5,6,7-tetrahydro-2-benzothiophene, benzo b thiophene, 4,5,6,7-tetrahydro, 5-17-01-00498 beilstein handbook reference
• PubChem CID: 22946
• IUPAC Name: 4,5,6,7-tetrahydro-1-benzothiophene
• SMILES: C1CCC2=C(C1)C=CS2

• Boiling Point: 55°C (1 mmHg)
• Refractive Index: 1.558
• Quantity: 1 g
• Sensitivity: Air Sensitive
• Formula Weight: 138.23
• Percent Purity: 97%
• Chemical Name or Material: 4,5,6,7-Tetrahydrobenzo[b]thiophene

Safety and Handling

Hazard Category	H315-H319-H335
Hazard Statement	GHS H Statement H315-H319-H335 Causes skin irritation. Causes serious eye irritation. May cause respiratory irritation.
Precautionary Statement	P261-P264b-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P362-P501c
TSCA	No
Recommended Storage	Ambient temperatures; Store under Argon

SDS

RUO – Research Use Only