81840

Dimethyl propargylmalonate

≥95.0% (GC)

• Linear Formula: HC≡CCH₂CH(COOCH₃)₂
• CAS Number: 95124-07-5
• Molecular Weight: 170.16
• Beilstein: 3539408
• MDL number: MFCD00077856
• UNSPSC 코드: 12352100
• PubChem Substance ID: 57652893
• NACRES: NA.22

속성

• 분석: ≥95.0% (GC)
• 형태: liquid
• refractive index: n20/D 1.444
• bp: 93-95 °C/7 mmHg (lit.)
• density: 1.119 g/mL at 20 °C (lit.)
• SMILES string: COC(=O)C(CC#C)C(=O)OC
• InChI: 1S/C8H10O4/c1-4-5-6(7(9)11-2)8(10)12-3/h1,6H,5H2,2-3H3
• InChI key: PWQAXFWWMXTVFT-UHFFFAOYSA-N

설명

애플리케이션

Dimethyl propargylmalonate can be used as a reactant to synthesize:

• Nitro methylenecyclopentanes by [3+2] annulation reaction with various nitroalkenes in the presence of Triton B.
• Propargylmalonamides intermediates, applicable in the preparation of ″click BOX″ ligands by copper-catalyzed cycloaddition and oxazoline ring formation reaction.
• Cyclopentene derivatives by reacting with various α, β-unsaturated ketones using a combination of organocatalysts and transition metal catalysts.

안전성 정보

• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 3
• Flash Point (°F): 235.4 °F - closed cup
• Flash Point (°C): 113 °C - closed cup
• 개인 보호 장비: Eyeshields, Gloves