8-Acetyl-7-hydroxy-4-methylcoumarin 8-乙酰基-7-羟基-4-甲基香豆素

CAS 2555-29-5 MFCD00100602

化学结构图

2555-29-5
SMILES: CC(=O)c1c(O)ccc2c(C)cc(=O)oc12

化学属性

Mol. FormulaC12H10O4
Mol. Weight218.21
Melting Point207-209 °C
Boiling Point426.1±45.0 °C at 760 mmHg

别名和识别编码

Chemical Name8-Acetyl-7-Hydroxy-4-Methyl-2H-Chromen-2-One
MDL NumberMFCD00100602
CAS Number2555-29-5
Reaxys-RN195795
Beilstein Registry Number18(3/4)1545
PubChem Substance ID5324648
Chemical Name Translation8-乙酰基-7-羟基-4-甲基香豆素
Synonym 8-Acetyl-7-hydroxy-4-methyl-2H-chromen-2-one {LY} 8-Acetyl-7-hydroxy-4-methyl-2H-chromen-2-one 8-acetyl-7-hydroxy-4-methylcoumarin {} {LY} 8-Acetyl-7-hydroxy-4-methyl-2H-chromen-2-one {} {} {LY} 8-Acetyl-7-hydroxy-4-methyl-2H-chromen-2-one {} {} {} {LY} 8-Acetyl-7-hydroxy-4-methyl-2H-chromen-2-one {} {} {} {} {LY} 8-Acetyl-7-hydroxy-4-methyl-2H-chromen-2-one {} {} {} {} {} {LY} 8-Acetyl-7-hydroxy-4-methyl-2H-chromen-2-one {} {} {} {} {} {} {} {} {} {} {} {} {LY} 8-Acetyl-7-hydroxy-4-methyl-2H-chromen-2-one {} {} {} {} {} {} {} {LY} 8-Acetyl-7-hydroxy-4-methyl-2H-chromen-2-one {} {} {} {} {} {} {} {} {LY} 8-Acetyl-7-hydroxy-4-methyl-2H-chromen-2-one {} {} {} {} {} {} {} {} {} {LY} 8-Acetyl-7-hydroxy-4-methyl-2H-chromen-2-one {} {} {} {} {} {} {} {} {} {} {LY} 8-Acetyl-7-hydroxy-4-methyl-2H-chromen-2-one {} {} {} {} {} {} {} {} {} {} {} {LY} 8-Acetyl-7-hydroxy-4-methyl-2H-chromen-2-one {} {} {} {} {} {} {} {} {} {} {} {} {LY} 8-Acetyl-7-hydroxy-4-methyl-2H
InChIKeyWZOMQVFUPMLOGT-UHFFFAOYSA-N
Wiswesser Line NotationT66 BOVJ E1 IQ JV1
InChIInChI=1S/C12H10O4/c1-6-5-10(15)16-12-8(6)3-4-9(14)11(12)7(2)13/h3-5,14H,1-2H3
Canonical SMILESCC1=CC(=O)OC2=C1C=CC(=C2C(=O)C)O
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安全信息

RTECSGN4910000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 910 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PHTXA6 Pharmacology and Toxicology.  English translation of FATOAO.  (New
   York, NY)  V.20-22, 1957-59.  Discontinued.  Volume(issue)/page/year:
   21,555,1958

Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
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。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P264+P265
  • 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。
  • 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。
  • P302+P352
  • 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。
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • 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.....
Storage condition

其他信息

  • 用途一:色甘酸钠的中间体。
  • 上游原料:间苯二酚 --> 三氯化铝 --> 乙酰氧基乙酸 --> 7-乙酰氧基-4-甲基香豆素 --> 4-甲基伞形酮
  • MOL 文件:2555-29-5.mol
  • TCI Shanghai:8-乙酰基-7-羟基-4-甲基-2H-1-苯并吡喃-2-酮 8-Acetyl-7-hydroxy-4-methylcoumarin(2555-29-5)
  • 方法一:用间苯二酚与乙酰乙酸乙酯在硫酸参与下缩合，生成7-羟基-4-甲基香豆素，然后以乙酸酐乙酰化，得7-乙酰氧基-4-甲基香豆素，后者在无水三氯化铝参与下加热经分子重排后得到该品。

系列性分类

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