1-Methyl-2-pyrrolidinone-d9

Basic Information

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CAS Number

185964-60-7

Molecular Formula

C5D9NO

Molecular Weight

108.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

-24℃

Boiling Point

81-82℃/10mm

Water Solubility

Soluble in water, chloroform(unlabeled), and methanol(unlabeled).

Flash Point

86°(187°F)

SMILES

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CN1CCCC1=O

InChI

InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3/i1D3,2D2,3D2,4D2

InChIKey

SECXISVLQFMRJM-YNSOAAEFSA-N

LogP

0.23859999999999992

Topological Polar Surface Area

20.310000000000002 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

90.1

Synonyms & References

English

3,3,4,4,5,5-hexadeuterio-1-(trideuteriomethyl)pyrrolidin-2-one
1-Methyl-2-pyrrolidinone-d9
1-Methyl-d3-2-pyrrolidinone-d6
N-Methyl-d3-2-pyrrolidinone-d6
Deuterated methylpyrrolidinone
185964-60-7
AKOS030228738
J-011929
1-methyl-2-pyrrolidone-d9; N-methylpyrrolidinone-d9
1-(?H?)methyl(?H?)pyrrolidin-2-one
DTXSID10584442
N-METHYL-2-PYRROLIDINONE-D9 (D, 99%)
1-(~2~H_3_)Methyl(~2~H_6_)pyrrolidin-2-one
SCHEMBL1330768
1-Methyl-2-pyrrolidinone-d9, 97per cent(Isotopic)
MFCD00148961
N-Methyl-d3-2-pyrrolidinone-d6, 98 atom % D
1-((2)H?)METHYL((2)H?)PYRROLIDIN-2-ONE

MDL Number

MFCD00148961

FAQ

What are the physical and chemical properties of 1-Methyl-2-pyrrolidinone-d9 (CAS: 185964-60-7)?

1-Methyl-2-pyrrolidinone-d9 is a colorless, odorless, and hygroscopic liquid at room temperature. It has a molecular weight of 130.19 g/mol and is highly soluble in water and organic solvents. This compound is stable under normal conditions but can react with strong acids and bases. It is commonly used as a solvent in chemistry and as a reference compound in NMR spectroscopy.

How is 1-Methyl-2-pyrrolidinone-d9 (CAS: 185964-60-7) typically synthesized?

1-Methyl-2-pyrrolidinone-d9 is typically synthesized by the amination of 1-methyl-2-pyrrolidone. This process often involves the reaction of 1-methyl-2-pyrrolidone with methylamine in the presence of a suitable catalyst. The method is known for its good yield and selectivity, making it a reliable route for industrial production.

What industries use 1-Methyl-2-pyrrolidinone-d9 (CAS: 185964-60-7)?

1-Methyl-2-pyrrolidinone-d9 is widely used in the pharmaceutical industry for the synthesis of APIs and drug intermediates. It is also utilized in the polymer industry as a solvent for polymers and in the semiconductor industry as a chemical mechanical polishing (CMP) slurry component. Additionally, it serves as a reference compound in NMR spectroscopy and as a reagent in analytical chemistry.

What precautions should be taken when handling 1-Methyl-2-pyrrolidinone-d9 (CAS: 185964-60-7)?

When handling 1-Methyl-2-pyrrolidinone-d9, it is essential to use personal protective equipment (PPE) such as gloves and safety goggles. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up using appropriate absorbents, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed instructions and emergency procedures.