(2-Amino-4,5-dimethylthiophen-3-yl)(4-chlorophenyl)methanone

Name: (2-Amino-4,5-dimethylthiophen-3-yl)(4-chlorophenyl)methanone
Brand: ChemScene
Availability: InStock
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CAS No. 50508-66-2
Cat. No. CS-M2756
Purity≥98%
MDL No.MFCD00177532

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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(2-Amino-4,5-dimethylthiophen-3-yl)(4-chlorophenyl)methanone|CS-M2756

Structure of 50508-66-2

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General Information

CAS No. 50508-66-2
Cat. No. CS-M2756
Purity ≥98%
MDL No. MFCD00177532
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₃H₁₂ClNOS
Molecular Weight 265.76
Synonym(s) Methanone, (2-amino-4,5-dimethyl-3-thienyl)(4-chlorophenyl)-
SMILES ClC1=CC=C(C(C2=C(N)SC(C)=C2C)=O)C=C1

Description

This thiophene-based ketone features a 2-amino-4,5-dimethylthiophen-3-yl group paired with a 4-chlorophenyl moiety, delivering enhanced electron density and steric bulk. The molecule exhibits bench-stable handling characteristics and integrates readily into synthetic pathways requiring polarized carbonyl reactivity.

Application

(2-Amino-4,5-dimethylthiophen-3-yl)(4-chlorophenyl)methanone serves as a versatile building block in heterocyclic synthesis, enabling efficient access to substituted thiophene-based scaffolds. Its amine functionality facilitates coupling reactions, while the aryl ketone moiety supports sequential functionalization. The molecule exhibits good bench stability and is compatible with standard purification protocols, making it suitable for medicinal chemistry campaigns requiring rapid scaffold diversification.

Synthesis

Route1
- 78-93-3
- In-stock
  
  4640-66-8
- ~70%
- In-stock
  
  50508-66-2
References
- DANA-FARBER CANCER INSTITUTE, INC.; BRADNER, James, Elliott; MATZUK, Martin; QI, Jun Patent: WO2011/143657 A1, 2011 ; Location in patent: Page/Page column 78 ;

Safety Information

Download SDS

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 43.09
LogP 3.83154
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Functional Group Ketone

Building Blocks Skeleton Aromatic heterocycle compounds Thiophene compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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(2-Amino-4,5-dimethylthiophen-3-yl)(4-chlorophenyl)methanone

CAS No. 50508-66-2

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