3880-50-0

Basic information

• Product Name: 1-Methylethylidene hydrazine carboxaldehyde
• Synonyms: (2S,4S)-2-(Dimethylaminocarbonyl)-4-Mercapto-1-(P-Nitrobenzyloxycarbonyl)-1-Pyrr;1-METYLETHYLIDENEHYDRAZINECARBOXALDEHYDE;1-Methylethylidene hydrazine carboxaldehyde;Acetone formylhydrazone;Formic acid isopropylidenehydrazide;N-(isopropylideneamino)formamide
• CAS NO: 3880-50-0
• Molecular Formula: C4H8N2O
• Molecular Weight: 100.12
• Mol File: 3880-50-0.mol
• Article Data: 2

Chemical Properties

• Melting Point: 74-75 °C
• Boiling Point: 144 °C
• Flash Point: 41 °C
• Appearance: /
• Density: 0.98
• CAS DataBase Reference: 1-Methylethylidene hydrazine carboxaldehyde(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Methylethylidene hydrazine carboxaldehyde(3880-50-0)
• EPA Substance Registry System: 1-Methylethylidene hydrazine carboxaldehyde(3880-50-0)

Safety Data

• Hazardous Substances Data: 3880-50-0(Hazardous Substances Data)

Usage

General Description

1-Methylethylidene hydrazine carboxaldehyde is a chemical compound with the molecular formula C4H7N3O. It is a yellow liquid with a strong, pungent odor. 1-Methylethylidene hydrazine carboxaldehyde is used as an intermediate in the manufacturing of pharmaceuticals and agrochemicals. It is also used as a synthetic building block for various organic compounds. 1-Methylethylidene hydrazine carboxaldehyde is considered to be a hazardous substance, and proper precautions must be taken when handling and storing it. It is important to follow all safety guidelines and regulations when working with this chemical.

Upstream product

• 67-64-1 acetone 
• 624-84-0 formic acid hydrazide 

Relevant articles and documents

Synthesis and characterization of acetone hydrazones

1-Isopropylidene-2-methylhydrazine (1), 1-isopropylidene-2- hydroxyethylhydrazine (2) and 1-isopropylidene-2-formylhydrazine (3) were synthesized by reaction of the corresponding hydrazine with an excess of acetone in the presence of a drying agent (anhydrous sodium sulfate or barium oxide). All compounds 1-3 were characterized by elemental analysis, coupled gas chromatography-mass spectrometry (GC-MS), multinuclear NMR spectroscopy ( 1H, 13C and 15N) and vibrational spectroscopy (infrared and Raman). Compounds 1 and 2 are liquid at room conditions and their density was measured by means of a picnometer, however, (at room conditions) compound 3 is a solid and its crystal density and structure were determined by low temperature X-ray diffraction techniques (monoclinic, P21/n, Z = 4, a = 5.666(1) A, b = 6.254(1) A, c = 15.277(4) A, β = 91.30(2)°, V = 541.2(2) A3). The structure of hydrazone 3 is discussed in detail and compared to that of monoformylhydrazine. Finally, the (gas phase) structure of compound 3 was optimized using DFT calculations (B3LYP/6-31+G(d, p)) and its NBO charges are reported. Copyright