C101605

1,3-Cyclohexanedione

97%

• 동의어(들): Dihydroresorcinol
• Linear Formula: C₆H₈(=O)₂
• CAS Number: 504-02-9
• Molecular Weight: 112.13
• Beilstein: 385888
• EC Number: 207-980-0
• MDL number: MFCD00001585
• UNSPSC 코드: 12352100
• PubChem Substance ID: 24892301
• NACRES: NA.22

속성

• Quality Level: 100
• 분석: 97%
• 형태: powder
• 포함: 1-3% sodium chloride as stabilizer
• mp: 101-105 °C (lit.)
• 저장 온도: 2-8°C
• SMILES string: O=C1CCCC(=O)C1
• InChI: 1S/C6H8O2/c7-5-2-1-3-6(8)4-5/h1-4H2
• InChI key: HJSLFCCWAKVHIW-UHFFFAOYSA-N
• 유전자 정보: human ... ACHE(43) , BCHE(590) , CES1(1066)

설명

애플리케이션

1,3-Cyclohexanedione can be used as a building block in the synthesis of:

• 9-substituted 1,8-dioxo-xanthenes by reacting with unactivated aldehydes via aldol condensation/ Michael addition reaction.
• [(1,2,3-triazol-4-yl)methoxy-phenyl]-2H-indazolo[2,1-b]phthalazine-trione derivatives by treating with phthalhydrazide, aromatic propargyloxy aldehydes, and azides via a four-component condensation reaction.

It can be also used to prepare 2-substituted adducts, which are important intermediates for the synthesis of ß-enaminones , polyhydroquinoline derivatives , 1,8-dioxo-dodecahydroxanthenes , spirocyclopentanols , oxathioles , and triquinanes.

안전성 정보

• 픽토그램: GHS05,GHS07
• 신호어: Danger
• 유해 및 위험 성명서: H302,H318,H412
• 예방조치 성명서: P273 - P280 - P301 + P312 + P330 - P305 + P351 + P338 + P310
• Hazard Classifications: Acute Tox. 4 Oral - Aquatic Chronic 3 - Eye Dam. 1
• Storage Class Code: 13 - Non Combustible Solids
• WGK: WGK 2
• 개인 보호 장비: Eyeshields, Gloves, type N95 (US)