Pyrimidine-4-carbohydrazide

Name: Pyrimidine-4-carbohydrazide
Brand: ChemScene
Availability: InStock
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CAS No. 39513-54-7
Cat. No. CS-W022945
Purity≥98%
MDL No.MFCD06738862

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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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Structure of 39513-54-7

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General Information

CAS No. 39513-54-7
Cat. No. CS-W022945
Purity ≥98%
MDL No. MFCD06738862
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₅H₆N₄O
Molecular Weight 138.13
Synonym(s) Pyrimidine-4-carboxylic acid hydrazide
SMILES O=C(C1=NC=NC=C1)NN

Description

Pyrimidine-4-carbohydrazide features a pyrimidine core functionalized with a carbohydrazide group, enabling versatile coordination in transition metal complexes. This scaffold integrates readily into heterocyclic frameworks and serves as a key building block for bioactive molecules. The hydrazide moiety facilitates condensation reactions under mild conditions, supporting efficient synthesis in medicinal chemistry workflows.

Application

Pyrimidine-4-carbohydrazide serves as a versatile building block in medicinal chemistry and heterocyclic synthesis, enabling efficient access to pyrimidine-based pharmacophores. Its hydrazide functionality facilitates condensation reactions with aldehydes, ketones, and activated esters, supporting the construction of hydrazones, oxadiazoles, and fused heterocycles. The molecule exhibits good bench stability and is compatible with common purification methods, making it well-suited for iterative synthetic workflows in API development.

Synthesis

Route1
- 7727-37-9
- ~%
- In-stock
  
  39513-54-7
References
- INCYTE CORPORATION Patent: WO2007/150026 A2, 2007 ; Location in patent: Page/Page column 69 ; WO 2007/150026 A2
Route2
- In-stock
  
  42839-08-7
- ~%
- In-stock
  
  39513-54-7
References
- Vanderhaeghe; Claesen Bulletin des Societes Chimiques Belges, 1957 , vol. 66, p. 276,289 Full Text Show Details Sirakawa et al. Yakugaku Zasshi, 1953 , vol. 73, p. 598,600 Chem.Abstr., 1954 , p. 9362 Full Text Show Details Gortinskaja et al. Zhurnal Obshchei Khimii, 1955 , vol. 25, p. 2313,2314, 2315; engl. Ausg. S. 2285, 2286 Full Text Show Details Carrara et al. Gazzetta Chimica Italiana, 1952 , vol. 82, p. 652,655, 660 Full Text Show Details Yale et al. Journal of the American Chemical Society, 1953 , vol. 75, p. 1933,1934

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 80.9
LogP -0.9199
H_Acceptors 4
H_Donors 2
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Key Words

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Pyrimidine-4-carbohydrazide

CAS No. 39513-54-7

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