1186-67-0

Basic information

• Product Name: 2-Bromomalonamide
• Synonyms: 2-Bromomalonamide;2-bromopropanediamide
• CAS NO: 1186-67-0
• Molecular Formula: C₃H₅BrN₂O₂
• Molecular Weight: 180.99
• Mol File: 1186-67-0.mol
• Article Data: 5

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 2-Bromomalonamide(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Bromomalonamide(1186-67-0)
• EPA Substance Registry System: 2-Bromomalonamide(1186-67-0)

Safety Data

• Hazardous Substances Data: 1186-67-0(Hazardous Substances Data)

Usage

General Description

2-Bromomalonamide, also known as bromomalonamide, is a chemical compound with the molecular formula C3H4BrNO2. It is a white crystalline solid with a melting point of 191-192 °C. 2-Bromomalonamide is primarily used as an intermediate in the synthesis of various pharmaceuticals and agrochemicals. It is also used as a reagent in organic synthesis, particularly in the preparation of heterocycles and other complex organic molecules. Additionally, 2-Bromomalonamide is a versatile building block in the production of fine chemicals and has potential applications in material science and medicinal chemistry. However, it should be handled with care as it is irritant to the eyes, skin, and respiratory system, and exposure to high levels can be harmful.

Upstream product

• 108-13-4 malonodiamide 
• 7726-95-6 bromine 
• 64-19-7 acetic acid 
• 107-91-5 cyanoacetic acid amide 

Downstream Products

• 108-13-4 malonodiamide 
• 7726-95-6 bromine 
• 88100-28-1 2-Benzylamino-malonamide 
• 93512-83-5 2-(4-nitrobenzyl)aminopropanediamide 
• 50599-22-9 phenylhydrazono-malonic acid diamide 
• 6961-38-2 [4-(dicarbamoylmethyl-amino)-phenyl]-arsonic acid 

Relevant articles and documents

Enols of 2-nitro- and related 2-substituted malonamides

The structures of 2-substituted malonamides, YCH(CONR1R 2)CONR3R4 (Y=Br, SO2Me, CONH 2, COMe, and NO2) were investigated. When Y=Br, R 1R2=R3R4=HEt; Y=SO2Me, R1-R4=H and for Y=CONH2 or CONHPh, R 1-R4=Me, the structure in solution is that of the amide tautomer. X-ray crystallography shows solid-state amide structures for Y=SO 2Me or CONH2, R1-R4=H. Nitromalonamide displays an enol structure in the solid state with a strong hydrogen bond (O. . .O distance=2.3730 A at 100 K) and d(OH) 6≠d(O. . .H). An apparently symmetric enol was observed in solution, even in appreciable percentages in highly polar solvents such as DMSO-d6, but Kenol values decrease on increasing the solvent polarity. The N,N′-dimethyl derivative is less enolic. Acetylmalonamides display a mixture of enol on the acetyl group and amide in non-polar solvents, and only the amide in DMSO-d6. DFT calculations gave the following order of pKenol values for Y: H > CONH 2 > COMe ≥ COMe (on acetyl) ≥ MeSO2>CN> NO2 in the gas phase, CHCl3, and DMSO. The enol on the C=O group is preferred to the aci-nitro compound, and theN-O-H. . .O=C is less favored than the C=O-H. . .O=C hydrogen bond. Copyright

Substituted pyrazole derivatives condensed with six-membered heterocyclic rings

The present invention relates to novel substituted pyrazole derivatives of the general formula (I) in which R1, R2, R3and A are each as defined, and to processes for their preparation and to their use as medicaments, in pa

Monobromination of cyanoacetamides and amidinoacetamide with molecular bromine

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