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

規格: 97%
CAS: 765-69-5
產品編號: H58626
MDL: MFCD00001406
品牌: INFI

1.3-二(er)酮(tong)系(xi)列產品

雜(za)環(huan)化(hua)合(he)(he)物(wu)(wu)(wu)(wu)是有機化(hua)合(he)(he)物(wu)(wu)(wu)(wu)中數量最龐大的(de)一(yi)個(ge)類別，約占總數的(de)三分(fen)之二以上，是多(duo)種化(hua)學(xue)類藥(yao)物(wu)(wu)(wu)(wu)的(de)合(he)(he)成(cheng)砌塊，除此雜(za)環(huan)化(hua)合(he)(he)物(wu)(wu)(wu)(wu)之外還應用于納(na)米(mi)材(cai)料、超導材(cai)料、農(nong)用化(hua)學(xue)品(pin)等(deng)的(de)合(he)(he)成(cheng)。而1, 3-二酮類化(hua)合(he)(he)物(wu)(wu)(wu)(wu)作為雜(za)環(huan)化(hua)合(he)(he)物(wu)(wu)(wu)(wu)一(yi)類重要(yao)的(de)合(he)(he)成(cheng)子, 它的(de)α位活潑亞甲(jia)基可(ke)通過(guo)手性催(cui)(cui)化(hua)劑、金屬催(cui)(cui)化(hua)劑或(huo)廉價易得(de)的(de)堿，催(cui)(cui)化(hua)形成(cheng)新的(de)碳-碳鍵(jian)(jian)、碳-雜(za)鍵(jian)(jian)等(deng)，從而高效(xiao)合(he)(he)成(cheng)一(yi)系列雜(za)環(huan)化(hua)合(he)(he)物(wu)(wu)(wu)(wu)。例如(ru)：1,3-二酮化(hua)合(he)(he)物(wu)(wu)(wu)(wu)經過(guo)一(yi)系列串聯反應，合(he)(he)成(cheng)吡唑羧酸類雜(za)環(huan)化(hua)合(he)(he)物(wu)(wu)(wu)(wu)[1]，這類分(fen)子具(ju)有KEAP1抑制活性，可(ke)以破(po)壞(huai)NRF2和KEAP1蛋白之間相互(hu)作用，治療慢性氧化(hua)應激疾(ji)病(bing)。

(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.

圖一 Journal of Medicinal Chemistry, 2021, 64 , 15949-15972.

研(yan)峰(feng)科(ke)技擁有(you)完整配套的(de)(de)研(yan)發生(sheng)產(chan)設備，通過前期(qi)大量的(de)(de)工藝研(yan)究、公(gong)司規范有(you)效的(de)(de)管(guan)控流程及智能管(guan)理系統，實現(xian)了1.3-二酮系列產(chan)品(pin)(pin)穩定(ding)量產(chan)，質量穩定(ding)，滿足客(ke)戶要求，還可以根據客(ke)戶的(de)(de)需要進行定(ding)制。詳(xiang)細(xi)產(chan)品(pin)(pin)情(qing)況請(qing)致電(dian)客(ke)服人員（400-106-2016）進行咨詢。



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-1,3-dione {} {} {} {} {} {}
Chemical Name Translation2-甲基-1,3-環戊二酮
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 避免皮膚和眼睛接觸；
    Precautionary statements
    • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉塵/煙/氣體/煙霧/蒸汽/噴霧。
    • P262 Do not get in eyes, on skin, or on clothing. 不要接觸眼睛，皮膚或衣服。
    • P264 Wash hands thoroughly after handling. 處理后要徹底洗凈雙手。
    • P264+P265
    • P270 Do not eat, drink or smoke when using this product. 使用本產品時不要吃東西，喝水或吸煙。
    • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通風良好的地方使用。
    • P273 Avoid release to the environment. 避免釋放到環境中。
    • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防護手套/防護服/眼睛的保護物/面部保護物。
    • 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. 如果你感覺不適，呼叫解毒中心或醫生/醫師。
    • P317
    • P319
    • P321 Specific treatment (see … on this label). 具體治療（見本標簽上的）。
    • P330 Rinse mouth. 漱口
    • P332+P313
    • P332+P317
    • P337+P313
    • P337+P317
    • P362 Take off contaminated clothing and wash before reuse. 脫掉污染的衣服，清洗后方可重新使用
    • P362+P364
    • P403+P233
    • P405 Store locked up. 上鎖保管。
    • P501 Dispose of contents/container to..… 處理內容物/容器.....
      Hazard statements
      • H302 Harmful if swallowed 吞食有害
      • H315 Causes skin irritation 會刺激皮膚
      • H319 Causes serious eye irritation 嚴重刺激眼睛
      • H320 Causes eye irritation 刺激眼睛
      • H332 Harmful if inhaled 吸入有害
      • H335 May cause respiratory irritation 可能導致呼吸道刺激
      • H402 Harmfultoaquaticlife 對水生生物有害。
      • H412 Harmfutoaquaticlifewithlonglastingeffects 對水生生物有害并具有長期影響。
        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-環戊二酮

        化學屬性

        Mol. FormulaC6H8O2
        Mol. Weight112.13
        Melting Point212-215°C
        TSCANo
        Appearance 白色結晶體。
        Boiling Point218°C at 760 mmHg

        *以上化(hua)合物(wu)性(xing)質及應(ying)用等(deng)信息僅供參考