5-Methyl-2-phenyl-1,2-dihydropyrazol-3-one 3-甲基-1-苯基-5-吡唑啉酮

CAS 89-25-8 MFCD00003138

化学结构图

89-25-8
SMILES: CC1=NN(c2ccccc2)C(=O)C1

化学属性

Mol. FormulaC10H10N2O
Mol. Weight174
Boiling Point287
Melting Point126-128
Density1.12
TSCAYes
Flash Point191°C/17mm
Appearance 白色结晶或粉末。熔点127℃,沸点287℃(35.3kPa)。溶于水、微溶于醇和苯,不溶于醚、石油醚及冷水。
Solubility3 g/L (20 °C)
Stability空气敏感

别名和识别编码

Chemical Name3-Methyl-1-phenyl-2-pyrazoline-5-one
MDL NumberMFCD00003138
CAS Number89-25-8
PubChem Substance ID4021
EC Number201-891-0
Beilstein Registry Number609575
Synonym 3-METHYL-1-PHENYL-2-PYRAZOLIN-5-ONE 3-甲基-1-苯基-吡唑啉-5-酮(别名:1,3,5-吡唑酮) 3-甲基-1-苯基-2-吡唑啉-5-酮, 98+% 3-Methyl-1-phenyl-5-pyrazolone 1-Phenyl-3-methyl-5-pyrazolon {h MCI-186 2,4-二氢-5-甲基-2-苯基 3-Methyl-1-phenyl-2-pyrazolin-5-one 3-甲基-1-苯基-5-吡唑啉酮 3-甲基-1-苯基-吡唑啉-5-酮 吡唑啉 MONOPYRAZOLONE Edaravone 依达拉奉 1-Phenyl-3-methyl-5-pyrazolone; 1,2-Dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one 依达拉奉;3-甲基-1-苯基-2-吡唑啉-5-酮;3-甲基-1-苯基-5-吡唑啉酮;1,3,5-吡唑酮;2,4-二氢-5-甲基-2-苯基-3H-吡唑-3-酮;苯基甲基吡唑啉酮;苯基甲基氮茂酮-[5] 苯基甲基吡唑啉酮 1,3,5-吡唑酮 3-METHYL-1-PHENYL-2
Merck Number6713
Chemical Name Translation3-甲基-1-苯基-5-吡唑啉酮
Reaxys-RN609575
Wiswesser Line NotationT5NMV DHJ BR& E1
LabNetwork Molecule IDLN00193714
InChIInChI=1S/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3
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分类

  • {SA} Analytical Reagents, Analytical/Chromatography, Chemical Biology, Chemical Synthesis, Coupling, Derivatization Reagents, Derivatization Reagents HPLC, Others, Peptide Chemistry, Peptide Coupling, Synthetic Reagents, UV-VIS
  • {SNA} Analytical Reagents,
  • {SNA} Analytical Reagents, Analytical/Chromatography, Chemical Biology, Chemical Synthesis, Chromophores, Coupling, Derivatization Reagents, Derivatization Reagents HPLC, Glycan Labeling, Glycan Labeling and Analysis, Glycobiology, Others, Peptide Chemistry,
  • {SNA} Chemical Biology,

产品应用

  • 用ESI/MALDI -MS检测还原性碳水化合物的试剂。环保试剂

相关文献及参考

  • [2]. Okamura, K., et al. Edaravone, a free radical scavenger, attenuates cerebral infarction and hemorrhagic infarction in rats with hyperglycemia. Neurol Res, 2013.
  • [3]. Garcia CA, et al. Edaravone reduces astrogliosis and apoptosis in young rats with kaolin-induced hydrocephalus. Childs Nerv Syst. 2016 Dec 17. [Epub ahead of print]
  • [4]. Bai X, et al. Protective Effect of Edaravone on Glutamate-Induced Neurotoxicity in Spiral Ganglion Neurons. Neural Plast. 2016;2016:4034218. Epub 2016 Nov 10.
  • Merck: 14,6713
  • Merck: 14,6713 Beilstein:24(2)9
  • Undergoes lithiation with n-BuLi at the methylene group; see, e.g.: Synth. Commun., 20, 477 (1990).
  • [1]. Yoshida, H., et al. Neuroprotective effects of edaravone: a novel free radical scavenger in cerebrovascular injury. CNS Drug R
  • [1]. Yoshida, H., et al. Neuroprotective effects of edaravone: a novel free radical scavenger in cerebrovascular injury. CNS Drug Rev, 2006. 12(1): p. 9-20.

安全信息

GHS Symbol
WGK Germany1
Hazard Codes Xi
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H302 Harmful if swallowed 吞食有害
  • H319 Causes serious eye irritation 严重刺激眼睛
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
RTECSUQ9625000
Precautionary statements
  • 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。
  • 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
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P301+P312+P330
  • 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。
Signal word
Safety Statements
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后,立即用大量水冲洗并征求医生意见;
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Storage condition 充气储存
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2012 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   RPTOAN Russian Pharmacology and Toxicology (English Translation).
   Translation of FATOAO.  (Euromed Pub., 33, Woodlands Rd., Surbiton, Surrey,
   UK)  V.30-    1967-  Volume(issue)/page/year: 36,27,1973

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 3500 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
   Behavioral - changes in motor activity (specific assay)
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   LONZA# Personal Communication from LONZA Ltd., CH-4002, Basel, Switzerland
   Volume(issue)/page/year: 08FEB1979

TYPE OF TEST            : Morphological transformation
TEST SYSTEM             : Rodent - rat Embryo
DOSE/DURATION           : 31 ug/plate
REFERENCE :
   JJATDK JAT, Journal of Applied Toxicology.  (John Wiley & Sons Ltd., Baffins
   Lane, Chichester, W. Sussex PO19 1UD, UK)  V.1-    1981-
   Volume(issue)/page/year: 1,190,1981

TYPE OF TEST            : Specific locus test
TEST SYSTEM             : Rodent - mouse Lymphocyte
DOSE/DURATION           : 300 mg/L
REFERENCE :
   EMMUEG Environmental and Molecular Mutagenesis.  (Alan R. Liss, Inc., 41 E.
   11th St., New York, NY 10003)  V.10-    1987-  Volume(issue)/page/year:
   17,196,1991

其他信息

  • 下游产品:吡唑 --> 野燕枯硫酸二甲酯 --> 弱酸嫩黄G --> 3,5-二苯基吡唑 --> 酸性黄17 --> 媒介红 7 --> [2,4-二氢-4-[(2-羟基-5-硝基苯基)偶氮]-5-甲基-2-苯基-3H-吡唑-3-氧根合(2-)][1-[(2-羟基-4-硝基苯基)偶氮]-2-萘酚根合(2-)]钴酸(1-)钠 --> 中性枣红D-BN
  • 用途二:用于合成安替匹林、氨基比林、安乃近等药物,制备酸性媒介枣红BN、永固黄G、皮革喷涂红G等染料
  • 依达拉奉价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 30144826 1-苯基-3-甲基-5-吡唑酮 100g 51.5元 2011/04/16 M0687 3-甲基-1-苯基-5-吡唑啉酮 3-Methyl-1-phenyl-5-pyrazolone 25G 175元 2011/04/16 M0687 3-甲基-1-苯基-5-吡唑啉酮 3-Methyl-1-phenyl-5-pyrazolone 500G 611元
  • TCI Shanghai:3-甲基-1-苯基-5-吡唑啉酮 3-Methyl-1-phenyl-5-pyrazolone,>;98.0%(T)(89-25-8)
  • 上游原料:乙醇 --> 盐酸 --> 硫酸 --> 碳酸钠 --> 亚硝酸钠 --> 氢氧化铵 --> 氨 --> 甲醛 --> 硫酸二甲酯 --> 氨基苯 --> 甲酸 --> 焦亚硫酸钠 --> 二乙烯酮 --> 对甲苯胺 --> 甲烷 --> 乙酰氧基乙酸 --> 亚硫酸氢铵 --> 1,3-丁二酮胺 --> 亚硝酸铵
  • 方法一:苯肼与乙酰乙酸乙酯反应而得。将苯肼和乙醇加热至50℃左右,开始加入乙酰乙酸乙酯,加完后回流4h。稍冷后放置过夜析出黄色结晶,过滤,将粗品用乙醇重结晶即为成品。另一种制法是由苯肼与丁酮酰胺反应。将苯肼与丁酮酰胺在50℃左右反应,反应结束后过滤、水洗、干燥而得成品。原料消耗定额:苯胺(98%)560kg/t、液氨1100kg/t、盐酸(30%)1280kg/t、醋酸1060kg/t、硫酸(93%)840kg/t、硫磺850kg/t、亚硝酸铵(95%)440kg/t。
  • 图谱信息:依达拉奉(89-25-8)核磁图( 1 HNMR) 依达拉奉(89-25-8)核磁图( 13 CNMR) 依达拉奉(89-25-8)红外图谱(IR2) 依达拉奉(89-25-8)质谱(MS) 依达拉奉(89-25-8)红外图谱(IR1)
  • 用途四:主要用于合成吡唑酮类解热镇痛药如安乃近、安替比林、氨基比林;也是吡唑酮类酸性染料如酸性媒介枣红BN、永固黄G以及彩色胶片染料、农药及及其他一些精细化学品的中间体。
  • 溶于水,水中溶解度:3 g/l (20°C)。微溶于乙醇和苯,不溶于醚,溶于酸。
  • Sigma Aldrich:89-25-8(sigmaaldrich)
  • Acros Organics:3-甲基-1-苯基-吡唑啉-5-酮(别名:1,3,5-吡唑酮) 3-Methyl-1-phenyl-2-pyrazolin-5-one, 99%(89-25-8)
  • 用途五:用ESI/MALDI -MS检测还原性碳水化合物的试剂。
  • MSDS 信息:Edaravone(89-25-8).msds
  • 用途三:用作测定钴、铜、铁、镍、银和维生素B12的试剂,也用于染料合成
  • Alfa Aesar:3-甲基-1-苯基-2-吡唑啉-5-酮,98+% 3-Methyl-1-phenyl-2-pyrazolin-5-one, 98+%(89-25-8)
  • 海关编码:29331990
  • 用途一:用于制备吡唑啉酮染料和药物等的中间体
  • MOL 文件:89-25-8.mol

系列性分类


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