6-(tert-Butyl)-4-chlorothieno[2,3-d]pyrimidine

Name: 6-(tert-Butyl)-4-chlorothieno[2,3-d]pyrimidine
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 439692-55-4
Cat. No. CS-0435379
Molecule weightNone
Purity≥97%
MDL No.MFCD04973932

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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+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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6-(tert-Butyl)-4-chlorothieno[2,3-d]pyrimidine|CS-0435379

Structure of 439692-55-4

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General Information

CAS No. 439692-55-4
Cat. No. CS-0435379
Purity ≥97%
MDL No. MFCD04973932
Storage -20°C, sealed storage, away from moisture
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₁₁ClN₂S
Molecular Weight None
Synonym(s) 6-Tert-butyl-4-chlorothieno[2,3-d]pyrimidine
SMILES ClC1=NC=NC2=C1C=C(C(C)(C)C)S2

Description

6-(tert-Butyl)-4-chlorothieno[2,3-d]pyrimidine is a sterically shielded heterocyclic scaffold featuring a chlorinated thienopyrimidine core. This electron-deficient system integrates readily into kinase inhibitor architectures, offering enhanced metabolic stability and improved solubility in organic media. The tert-butyl group provides steric protection, minimizing unwanted side reactions during downstream functionalization.

Application

6-(tert-Butyl)-4-chlorothieno[2,3-d]pyrimidine serves as a versatile building block for heterocyclic synthesis, enabling efficient construction of thienopyrimidine-based scaffolds. The chloro group facilitates nucleophilic substitution reactions, while the tert-butyl moiety enhances solubility and stability under standard reaction conditions. This compound functions effectively in Pd-catalyzed coupling processes and supports the development of functionalized analogs relevant to medicinal chemistry and materials science applications.

Synthesis

Route1
- 439692-54-3
- ~64%
- In-stock
  
  439692-55-4
References
- Horiuchi, Takao; Nagata, Motoko; Kitagawa, Mayumi; Akahane, Kouichi; Uoto, Kouichi Bioorganic and Medicinal Chemistry, 2009 , vol. 17, # 23 p. 7850 - 7860

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

Quality Control

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Computational Chemistry Data

TPSA 25.78
LogP 3.6422
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Building Blocks Skeleton Aromatic heterocycle compounds Thiophene compounds

Key Words

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6-(tert-Butyl)-4-chlorothieno[2,3-d]pyrimidine

CAS No. 439692-55-4

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