2-Methyl-1,3-cyclopentanedione 2-甲基-1,3-环戊二酮

规格: 97%
CAS: 765-69-5
产品编号: H58626
MDL: MFCD00001406
品牌: INFI

1.3-二酮系列产品

杂环化合物是有机化合物中数量最庞大的一个类别,约占总数的三分之二以上,是多种化学类药物的合成砌块,除此杂环化合物之外还应用于纳米材料、超导材料、农用化学品等的合成。而1, 3-二酮类化合物作为杂环化合物一类重要的合成子, 它的α位活泼亚甲基可通过手性催化剂、金属催化剂或廉价易得的碱,催化形成新的碳-碳键、碳-杂键等,从而高效合成一系列杂环化合物。例如:1,3-二酮化合物经过一系列串联反应,合成吡唑羧酸类杂环化合物[1],这类分子具有KEAP1抑制活性,可以破坏NRF2和KEAP1蛋白之间相互作用,治疗慢性氧化应激疾病。

(a) DMF-DMA, TsOH, 130 °C, 15 min microwave;(b) 2-bromopyridine-6-hydrazine or 3-bromophenyl hydrazine, DIPEA, EtOH;

(c) 3-bromo-N,N-dimethylbenzamide, Pd(PPh3)4, Na2CO3, dioxane/H2O, 100 °C, 1 h then NaOH or LiOH.

图一 Journal of Medicinal Chemistry, 2021, 64 , 15949-15972.

研峰科技拥有完整配套的研发生产设备,通过前期大量的工艺研究、公司规范有效的管控流程及智能管理系统,实现了1.3-二酮系列产品稳定量产,质量稳定,满足客户要求,还可以根据客户的需要进行定制。详细产品情况请致电客服人员(400-106-2016)进行咨询。



Chemical Name2-Methylcyclopentane-1,3-dione
CAS Number765-69-5
Alfabeta NameMETHYLCYCLOPENTANEDIONE 213---,
MDL NumberMFCD00001406
EC Number212-153-2
Beilstein Registry Number1237255
PubChem Substance ID13005
Synonym 2-Methylcyclopentane-1,3-dione {LY} 2-Methylcyclopentane-1,3-dione {} {LY} 2-Methylcyclopentane-1,3-dione {} {} {LY} 2-Methylcyclopentane-1,3-dione {} {} {} {LY} 2-Methylcyclopentane-1,3-dione {} {} {} {} {LY} 2-Methylcyclopentane-1,3-dione {} {} {} {} {} {LY} 2-Methylcyclopentane-1,3-dione {} {} {} {} {} {} {LY} 2-Methylcyclopentane-1,3-dione {} {} {} {} {} {} {} {LY} 2-Methylcyclopentane-1,3-dione {} {} {} {} {} {} {} {} {LY} 2-Methylcyclopentane-1,3-dione {} {} {} {} {} {} {} {} {} {LY} 2-Methylcyclopentane-1,3-dione {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methylcyclopentane-1,3-dione {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methylcyclopentane-1,3-dione {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methylcyclopentane-1,3-dione {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methylcyclopentane-1,3-dione {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methylcyclopentane-
Chemical Name Translation2-甲基-1,3-环戊二酮
Reaxys-RN1237255
InChIKeyHXZILEQYFQYQCE-UHFFFAOYSA-N
LabNetwork Molecule IDLN00222075
InChIInChI=1S/C6H8O2/c1-4-5(7)2-3-6(4)8/h4H,2-3H2,1H3
Canonical SMILESCC1C(CCC1=O)=O
GHS Symbol
Warnings IRRITANT
WGK Germany3
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Hazard Codes Xi
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触;
    Precautionary statements
    • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
    • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛,皮肤或衣服。
    • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
    • P264+P265
    • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西,喝水或吸烟。
    • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
    • P273 Avoid release to the environment. 避免释放到环境中。
    • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
    • P301+P312
    • P301+P317
    • P302+P352
    • P304+P312
    • P304+P340
    • P305+P351+P338
    • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适,呼叫解毒中心或医生/医师。
    • P317
    • P319
    • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
    • P330 Rinse mouth. 漱口
    • P332+P313
    • P332+P317
    • P337+P313
    • P337+P317
    • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服,清洗后方可重新使用
    • P362+P364
    • P403+P233
    • P405 Store locked up. 上锁保管。
    • P501 Dispose of contents/container to..… 处理内容物/容器.....
      Hazard statements
      • H302 Harmful if swallowed 吞食有害
      • H315 Causes skin irritation 会刺激皮肤
      • H319 Causes serious eye irritation 严重刺激眼睛
      • H320 Causes eye irritation 刺激眼睛
      • H332 Harmful if inhaled 吸入有害
      • H335 May cause respiratory irritation 可能导致呼吸道刺激
      • H402 Harmfultoaquaticlife 对水生生物有害。
      • H412 Harmfutoaquaticlifewithlonglastingeffects 对水生生物有害并具有长期影响。
        Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
      • {ALF} Valuable intermediate for steroid synthesis. For a review, see: Synthesis, 477 (1989). Condensation with methyl vinyl ketone and proline-catalyzed asymmetric aldol cyclization of the product gives a diketone useful in steroid and prostaglandin synthesis: Org. Synth. Coll., 7, 363 (1990):
      • {ALF}
      • 765-69-5 H58626 2-Methyl-1,3-cyclopentanedione	2-甲基-1,3-环戊二酮

        化学属性

        Mol. FormulaC6H8O2
        Mol. Weight112.13
        Melting Point212-215°C
        TSCANo
        Appearance 白色结晶体。
        Boiling Point218°C at 760 mmHg
        Density1.0

        *以上化合物性质及应用等信息仅供参考