41661

1,3-Dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone

absolute, over molecular sieve (H₂O ≤0.05%), ≥99.0% (GC)

• 동의어(들): 1,3-Dimethyl-2-oxohexahydropyrimidine, N,N′-Dimethylpropylene urea, DMPU
• 실험식(Hill 표기법): C₆H₁₂N₂O
• CAS Number: 7226-23-5
• Molecular Weight: 128.17
• Beilstein: 110562
• EC Number: 230-625-6
• MDL number: MFCD00006550
• UNSPSC 코드: 12352115
• PubChem Substance ID: 57650056
• NACRES: NA.22

속성

• grade: absolute
• Quality Level: 200
• 분석: ≥99.0% (GC)
• 양식: liquid
• 품질: over molecular sieve (H₂O ≤0.05%)
• refractive index: n20/D 1.488 (lit.); n20/D 1.489
• bp: 146 °C/44 mmHg (lit.)
• density: 1.06 g/mL at 25 °C (lit.)
• SMILES string: CN1CCCN(C)C1=O
• InChI: 1S/C6H12N2O/c1-7-4-3-5-8(2)6(7)9/h3-5H2,1-2H3

설명

애플리케이션

1,3-Dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone (DMPU) can be used as a:

• Solvent in the synthesis of 1-aryl-3,4,5-substituted pyrazoles by cyclocondensation of 1,3-diketones with arylhydrazine hydrochlorides.[1]
• Chelating solvent in the trifluoromethylation of activated and non-activated halogenated double bonds.[2]
• Ligand in ortho-alkylation of secondary benzamide catalyzed by cobalt.[3]

기타 정보

Aprotic, dipolar solvent, which is an excellent replacement of the carcinogenic HMPA as cosolvent for highly reactive nucleophiles and bases. High Z-selectivity in enolate formation;[4][5] DMPU was shown to be non-mutagenic and safe.[6]

안전성 정보

• 픽토그램: GHS08,GHS05,GHS07
• 신호어: Danger
• 유해 및 위험 성명서: H302,H318,H361f
• 예방조치 성명서: P202 - P264 - P280 - P301 + P312 - P305 + P351 + P338 - P308 + P313
• Hazard Classifications: Acute Tox. 4 Oral - Eye Dam. 1 - Repr. 2
• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 1
• Flash Point (°F): 249.8 °F - closed cup
• Flash Point (°C): 121 °C - closed cup
• 개인 보호 장비: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter