Ethyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Name: Ethyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Brand: ChemScene
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CAS No. 40106-13-6
Cat. No. CS-0072373
Purity≥98%
MDL No.None

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Ethyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate|CS-0072373

Structure of 40106-13-6

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Description

Ethyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate features a saturated thiophene core with a pendant amino group and ester functionality. This heterocyclic scaffold integrates readily into medicinal chemistry libraries, offering enhanced solubility and metabolic stability. The molecule serves as a key intermediate for synthesizing bioactive compounds in drug discovery programs.

Application

Ethyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate serves as a versatile heterocyclic building block for medicinal chemistry and process development. Its saturated thiophene core offers enhanced metabolic stability and favorable solubility profiles. The pendant amino and ester groups enable diverse functionalization—via alkylation, acylation, or coupling reactions—facilitating rapid access to complex scaffolds. Bench-stable and readily purified by standard chromatography, it functions effectively in multistep syntheses requiring robust reactivity and orthogonality.

General Information

CAS No. 40106-13-6
Cat. No. CS-0072373
Purity ≥98%
MDL No. None
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₁₇NO₂S
Molecular Weight 239.33
Synonym(s) 2-amino-3-carbethoxy-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene
SMILES NC(S1)=C(C(OCC)=O)C2=C1CCCCC2

Computational Chemistry Data

TPSA 52.32
LogP 2.7759
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 2

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic heterocycle compounds Thiophene compounds

Key Words

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Ethyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

CAS No. 40106-13-6

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