1-(2-Chloropyrimidin-5-yl)ethanone

Name: 1-(2-Chloropyrimidin-5-yl)ethanone
Brand: ChemScene
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CAS No. 110100-00-0
Cat. No. CS-W021203
Purity≥97%
MDL No.MFCD10697144

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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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1-(2-Chloropyrimidin-5-yl)ethanone|CS-W021203

Structure of 110100-00-0

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General Information

CAS No. 110100-00-0
Cat. No. CS-W021203
Purity ≥97%
MDL No. MFCD10697144
Storage -20°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₅ClN₂O
Molecular Weight 156.57
Synonym(s) Ethanone, 1-(2-chloro-5-pyrimidinyl)- (9CI)
SMILES CC(C1=CN=C(Cl)N=C1)=O

Description

1-(2-Chloropyrimidin-5-yl)ethanone features a chlorinated pyrimidine ring paired with an acetyl group, enabling direct integration into heterocyclic scaffolds. This electrophilic moiety facilitates efficient coupling reactions in medicinal chemistry and materials synthesis under standard conditions.

Application

1-(2-Chloropyrimidin-5-yl)ethanone serves as a versatile building block in medicinal chemistry, enabling efficient construction of pyrimidine-based scaffolds. Its chloro substituent facilitates nucleophilic substitution reactions, while the acetyl group offers a handle for further functionalization. The compound exhibits good bench stability and compatibility with standard synthetic workflows, making it well-suited for modular synthesis of heterocyclic APIs and bioactive molecules.

Synthesis

Route1
- 122372-20-7
- ~87%
- In-stock
  
  110100-00-0
References
- Matulenko, Mark A.; Lee, Chih-Hung; Jiang, Meiqun; Frey, Robin R.; Cowart, Marlon D.; Bayburt, Erol K.; DiDomenico Jr., Stanley; Gfesser, Gregory A.; Gomtsyan, Arthur; Guo, Zhu Zheng; McKie, Jeffery A.; Stewart, Andrew O.; Yu, Haixia; Kohlhaas, Kathy L.; Alexander, Karen M.; McGaraughty, Steve; Wismer, Carol T.; Mikusa, Joseph; Marsh, Kennan C.; Snyder, Ronald D.; Diehl, Marilyn S.; Kowaluk, Elizabeth A.; Jarvis, Michael F.; Bhagwat, Shripad S. Bioorganic and Medicinal Chemistry, 2005 , vol. 13, # 11 p. 3705 - 3720
Route2
- 917-54-4
- 110099-99-5
- ~29%
- In-stock
  
  110100-00-0
- In-stock
  
  110100-09-9
References
- Arukwe, Joseph; Undheim, Kjell Acta Chemica Scandinavica, Series B: Organic Chemistry and Biochemistry, 1986 , vol. 40, # 9 p. 764 - 767

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 42.85
LogP 1.3326
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Ketone

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Key Words

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1-(2-Chloropyrimidin-5-yl)ethanone

CAS No. 110100-00-0

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