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


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