2-(4-Chlorophenoxy)isobutyric Acid 2-(4-氯苯氧基)异丁酸

CAS 882-09-7 MFCD00004192

化学结构图

882-09-7
SMILES: CC(C)(OC1C=CC(Cl)=CC=1)C(O)=O

化学属性

Mol. FormulaC10H11ClO3
Mol. Weight214.65
Melting Point120-122°C
TSCANo
SolubilitySoluble in water (partly), 1eq. NaOH (100 mM), methanol (50 mg/ml), chloroform, and ethanol.
Boiling Point308.11 °C at 760 mmHg

别名和识别编码

Chemical Name2-(4-Chlorophenoxy)isobutyric Acid
CAS Number882-09-7
Alfabeta NameCHLOROPHENOXYMETHYLPROPANOICACID 242()----
MDL NumberMFCD00004192
Synonym Clofibric acid {LY} Clofibric acid {} {LY} Clofibric acid {} {} {LY} Clofibric acid {} {} {} {LY} Clofibric acid {} {} {} {} {LY} Clofibric acid {} {} {} {} {} {LY} Clofibric acid {} {} {} {} {} {} {LY} Clofibric acid {} {} {} {} {} {} {} {LY} Clofibric acid {} {} {} {} {} {} {} {} {LY} Clofibric acid {} {} {} {} {} {} {} {} {} {LY} Clofibric acid {} {} {} {} {} {} {} {} {} {} {LY} Clofibric acid {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} Clofibric acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Clofibric acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Clofibric acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Clofibric acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Clofibric acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
PubChem Substance ID87565990
EC Number212-925-9
Reaxys-RN1874067
Merck Number2378
Beilstein Registry Number1874067
Chemical Name Translation2-(4-氯苯氧基)异丁酸
Wiswesser Line NotationQVX1&1&OR DG
Canonical SMILESCC(C)(OC1=CC=C(Cl)C=C1)C(O)=O
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分类

  • {SNA} APIs & Metabolites, APIs (Active Pharmaceutical Ingredients) & Metabolites, Additional Drugs, Additional Standards, Analytical Standards, Chromatography, Clofibrate Metabolites, Pharmaceutical Standards, Pharmaceuticals, Illicit Drugs & Alcohol, 分析/色谱
  • {SA} Analytical Standards, Analytical/Chromatography, Building Blocks, C10, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis,
  • Analytical Standards, Analytical/Chromatography, Building Blocks,
  • {SNA} Building Blocks, C10, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building

产品应用

  • A hypolipidemic compound

相关文献及参考

  • [2]. Salgado R, et, al. Biodegradation of clofibric acid and identification of its metabolites. J Hazard Mater. 2012 Nov 30;241-242:182-9.
  • [3]. Kawashima Y, et, al. Increased activity of stearoyl-CoA desaturation in liver from rat fed clofibric acid. Biochim Biophys Acta. 1982 Dec 13;713(3):622-8.
  • FT-IR 2 (2), 2614:D / FT-IR 1 (2), 165:A / FT-NMR 1 (2), 1025:C / IR-Spectra (3), 945:E / NMR-Reference 2 (2), 160:B / RegBook 1 (2), 1761:H / Sax 6 , 798 / Sigma FT-IR 1 (2), 388:B / Structure Index 1 , 281:C:5
  • Merck 14 ,2378
  • [1]. Forman BM, et, al. Hypolipidemic drugs, polyunsaturated fatty acids, and eicosanoids are ligands for peroxisome proliferator-activated receptors alpha and delta. Proc Natl
  • [1]. Forman BM, et, al. Hypolipidemic drugs, polyunsaturated fatty acids, and eicosanoids are ligands for peroxisome proliferator-activated receptors alpha and delta. Proc Natl Acad Sci U S A. 1997 Apr 29;94(9):4312-7.

安全信息

Warnings IRRITANT
WGK Germany3
GHS Symbol
Hazard statements
  • H302 Harmful if swallowed 吞食有害
Hazard Codes Xn Xn,Xi
RTECSUE9455000
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Signal word Warning
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。
  • 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+P330
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338+P337+P313
  • 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
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Safety Statements
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Human
DOSE/DURATION           : 260 mg/kg/91D
TOXIC EFFECTS :
   Liver - other changes
REFERENCE :
   ATHSBL Atherosclerosis (Shannon, Ireland).  (Elsevier Scientific Pub.
   Ireland Ltd., POB 85, Limerick, Ireland)  V.11-    1970-
   Volume(issue)/page/year: 36,159,1980

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 727 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TSPMA6 Travaux de la Societe de Pharmacie de Montpellier. (Soc. de Pharmacie
   de Montpellier, Faculte de Pharmacie de Montpellier, Ave. Ch.-Flahault,
   34060 Montpellier, France)  V.1-    1942- Volume(issue)/page/year:
   34,121,1974

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 683 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: 3

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 683 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: 33,150,1970

TYPE OF TEST

TYPE OF TEST            : Unscheduled DNA synthesis
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Rodent - rat
DOSE/DURATION           : 2100 mg/kg/1W (Continuous)
REFERENCE :
   CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House,
   Southfield Road, Eynsham, Oxford OX8 1JJ, UK)  V.1-    1980-
   Volume(issue)/page/year: 12,1557,1991

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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

其他信息

  • MOL 文件:882-09-7.mol
  • Alfa Aesar:2-(4-氯苯氧基)异丁酸,98% 2-(4-Chlorophenoxy)isobutyric acid, 98%(882-09-7)
  • TCI Shanghai:2-(4-氯苯氧基)异丁酸 2-(4-Chlorophenoxy)isobutyric Acid,>;97.0%(T)(882-09-7)
  • Clofibric acid 是PPARα激动剂，是一种降血脂剂。
  • Acros Organics:2-(4-氯苯氧基)-2-甲基丙酸 2-(4-Chlorophenoxy)-2-methylpropionic acid, 99%(882-09-7)
  • Sigma Aldrich:882-09-7(sigmaaldrich)
  • 下游产品:氯贝特
  • Hazard Note:Irritant
  • 图谱信息:4-氯苯氧异丁酸(882-09-7)红外图谱(IR2) 4-氯苯氧异丁酸(882-09-7)质谱(MS) 4-氯苯氧异丁酸(882-09-7)红外图谱(IR1)
  • 用途一:用于医药安妥明中间体
  • 4-氯苯氧异丁酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C0940 2-(4-氯苯氧基)异丁酸 2-(4-Chlorophenoxy)isobutyric Acid 500G 1980元 2014/06/02 C0940 2-(4-氯苯氧基)异丁酸 2-(4-Chlorophenoxy)isobutyric Acid 25G 273元 2010/06/21 189092500 4-氯苯氧异丁酸 2-(4-Chlorophenoxy)-2-methylpropionic acid 99% 250 GR 1346元
  • 方法一:由对氯苯酚经缩合而得。将对氯苯酚和丙酮加入反应锅，搅拌下加入氢氧化钠，在20℃左右滴加氯仿，反应温度控制在25-30℃，此时反应激烈，当反应缓和后加热回流3h。蒸馏回收丙酮，加水，加热至70℃使溶解，加入盐酸至pH为2-3，冷却析出结晶。冷至10℃以下，甩滤，用水洗涤至无油状物，干燥，得成品。收率约为80%。
  • 用途二:制药中间体，用于安妥明、安妥明铝盐、安妥明丙二酸酯等。

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Carboxylic Acids - Carbonyl Compounds
  6. C10 - Carboxylic Acids
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Chromatography - Analytical Standards
  4. Environmental Standards - Chromatography
  5. Pesticides & Metabolites - Environmental Standards
  6. Pesticides - Pesticides & Metabolites
  7. Plant growth regulators - Pesticides
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Carboxylic Acids
  6. C1 to C5
  1. Medical Research Areas
  2. Metabolism
  3. Drug Metabolite  (药物代谢物)

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