3-(2,6-Dichlorophenyl)-5-Methylisoxazole-4-Carboxylic Acid 3-(2,6-二氯苯基)-5-甲基异唑-4-羧酸

CAS 3919-76-4 MFCD00051658

化学结构图

3919-76-4
SMILES: Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)O

化学属性

Mol. FormulaC11H7Cl2NO3
Mol. Weight272.08
Melting Point221-225 °C
TSCAYes

别名和识别编码

Chemical Name3-(2,6-Dichlorophenyl)-5-Methylisoxazole-4-Carboxylic Acid
CAS Number3919-76-4
Synonym 3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carboxylic acid {LY} 3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carboxylic acid {} {LY} 3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carboxylic acid {} {} {LY} 3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carboxylic acid {} {} {} {LY} 3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carboxylic acid {} {} {} {} {} {} {} {} {LY} 3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carboxylic acid {} {} {} {} {} {LY} 3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carboxylic acid {} {} {} {} {} {} {LY} 3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carboxylic acid {} {} {} {} {} {} {} {LY} 3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carboxylic acid {} {} {} {} {} {} {} {} {} {LY} 3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carboxylic acid {} {} {} {} {} {} {} {} {} {} {LY} 3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carboxylic acid {} {} {} {} {}
MDL NumberMFCD00051658
EC Number223-487-3
Beilstein Registry Number806524
Chemical Name Translation3-(2,6-二氯苯基)-5-甲基异唑-4-羧酸
InChIKeyWQXUUMUOERZZAE-UHFFFAOYSA-N
LabNetwork Molecule IDLN00239274
PubChem Substance ID77521
InChIInChI=1S/C11H7Cl2NO3/c1-5-8(11(15)16)10(14-17-5)9-6(12)3-2-4-7(9)13/h2-4H,1H3,(H,15,16)
Canonical SMILESCC1=C(C(O)=O)C(C2=C(Cl)C=CC=C2Cl)=NO1
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分类

  • Aromatics
  • Heterocycles

产品应用

  • Used in the preparation of isoxazolyl penicillin derivatives.

安全信息

Safety Statements
  • S22 Do not breathe dust 不要吸入粉尘；
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
  • 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；
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
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
  • R22 Harmful if swallowed 吞咽有害
Hazard Codes Xi
Hazard statements
  • H302 Harmful if swallowed 吞食有害
Precautionary statements
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • 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。
  • P301+P312
  • P301+P317
  • P330 Rinse mouth. 漱口
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Storage condition

其他信息

  • 用途一:双氯苯唑青霉素钠的中间体。
  • 上游原料:盐酸羟胺 --> 乙酰氧基乙酸 --> ALPHA,ALPHA-二氯甲苯(二氯甲苯) --> 5-甲基-4-异唑甲酸乙酯
  • 下游产品:3-(2,6-二氯苯基)-5-甲基异唑-4-甲酰氯
  • Alfa Aesar:3-(2,6-二氯苯基)-5-甲基异唑-4-羧酸,98+% 3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carboxylic acid, 98+%(3919-76-4)
  • Acros Organics:3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxylic acid(3919-76-4)
  • 3-(2,6-二氯苯基)-5-甲基异恶唑-4-羧酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/06/21 SB00572EE 3-(2,6-二氯苯基)-5-甲基异恶唑-4-羧酸 3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxylic acid 50 GR 1800元 2010/06/21 SB00572FA 3-(2,6-二氯苯基)-5-甲基异恶唑-4-羧酸 3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxylic acid 100 GR 2820元 2010/06/21 SB00572EA 3-(2,6-二氯苯基)-5-甲基异恶唑-4-羧酸 3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxylic acid 10 GR 1035元
  • 方法一:用6-二氯甲苯以氯气、三氯化磷在紫外线催化下氯化，生成2,6,α,α-四氯甲苯，然后与盐酸羟胺在浓硫酸作用下肟化得2,6-二氯苯甲肟，再经氯化得2,6-二氯苯甲肟氯，进而与乙酰乙酸乙酯环合生成3-（2,6-二氯苯基）-5-甲基-4-异噁唑甲酸乙酯。将后者以碱水解后酸化得到该品。
  • MOL 文件:3919-76-4.mol
  • Hazard Note:Harmful

系列性分类

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