4-Hydroxyphenylacetic acid 4-Hydroxyphenylacetic acid对羟基苯乙酸

CAS 156-38-7 MFCD00004347

化学结构图

156-38-7
SMILES: O=C(O)Cc1ccc(O)cc1

化学属性

Mol. FormulaC8H8O3
Mol. Weight152.15
Density1.319
Melting Point147-152°C
TSCAYes
Stability对光和空气敏感
Appearance 白色或微黄色结晶粉末。熔点149-151℃。能升华。溶于乙醚、乙醇、乙酸乙酯。
Boiling Point346.6°C at 760 mmHg

别名和识别编码

Chemical Name4-Hydroxyphenylacetic acid
CAS Number156-38-7
Synonym 4-Hydroxyphenylacetic acid {LY} 4-Hydroxyphenylacetic acid {} {LY} 4-Hydroxyphenylacetic acid {} {} {LY} 4-Hydroxyphenylacetic acid {} {} {} {LY} 4-Hydroxyphenylacetic acid {} {} {} {} {LY} 4-Hydroxyphenylacetic acid {} {} {} {} {} {LY} 4-Hydroxyphenylacetic acid {} {} {} {} {} {} {LY} 4-Hydroxyphenylacetic acid {} {} {} {} {} {} {} {LY} 4-Hydroxyphenylacetic acid {} {} {} {} {} {} {} {} {LY} 4-Hydroxyphenylacetic acid {} {} {} {} {} {} {} {} {} {LY} 4-Hydroxyphenylacetic acid {} {} {} {} {} {} {} {} {} {} {LY} 4-Hydroxyphenylacetic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Hydroxyphenylacetic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Hydroxyphenylacetic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Hydroxyphenylacetic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Hydroxyphenylacetic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00004347
EC Number205-851-3
Beilstein Registry Number1448766
PubChem Substance ID127
Reaxys-RN1448766
Chemical Name Translation4-Hydroxyphenylacetic acid对羟基苯乙酸
InChIKeyXQXPVVBIMDBYFF-UHFFFAOYSA-N
Wiswesser Line NotationQV1R DQ
LabNetwork Molecule IDLN00222879
InChIInChI=1S/C8H8O3/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)
Canonical SMILESO=C(O)CC1=CC=C(O)C=C1
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分类

  • Pharmaceuticals
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; carboxylic acid; alcohol; 1fragment
  • {SNA} Biochemicals and Reagents, Building Blocks, C8, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Fluorescent Labels, Fluorescent Probes, Labels, Particles and Stains, Organic Building Blocks, Other Fluorescent Labels
  • {SNA} Building Blocks, C8, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Fluorescent Labels, Organic Building Blocks, Other Fluorescent Labels, 生化试剂, 荧光探针，标记，粒子和染色剂
  • Aromatics
  • Intermediates & Fine Chemicals,

产品应用

  • 有机合成。有机合成中间体，用于生产β-受体阻滞药阿替洛尔和葛根黄豆甙元有效成分－4,7-二羟基异黄酮的合成；还可用作农药中间体。酚类化合物和胺类化合物的酰化反应试剂。

相关文献及参考

  • Beilstein:10,190
  • Papadopoulos, G., et al.: J Am Oil Chem Soc, 68, 669 (1991),
  • Short: EINECS
  • Short: IV/8A
  • Shu, Y., et al.: Guangdong Huagong, 37, 108 (2010),
  • [1]. Zhao H, et al. 4-Hydroxyphenylacetic Acid Prevents Acute APAP-Induced Liver Injury by Increasing Phase IIand Antioxidant Enzymes in Mice. Front Pharmacol. 2018 Jun 19;9:653.

安全信息

Signal word Warning
GHS Symbol
WGK Germany3
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
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
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。
  • 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
  • P305+P351+P338+P337+P313
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • 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。
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P332+P313
  • 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
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
RTECSAI2680000
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H318 Causes serious eye damage 严重伤害眼睛
  • 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
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xi
Storage condition 2-8°C, stored under nitrogen {LY} 2-8°C, stored under nitrogen Store at room temperature {} {LY} 2-8°C, stored under nitrogen {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8° 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 3500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia,
   Italy)  V.8-43 1953-88 For publisher information, see FRMCE8
   Volume(issue)/page/year: 13,286,1958

其他信息

  • 下游产品:2-[3-(2H-苯并三唑-2-基)-4-羟基苯基]乙基 2-甲基丙烯酸酯 --> 头孢丙烯 --> 4-羟基苯乙酰胺 --> 4-甲氧基苯基乙酰氯 --> 卡莫司他 --> 尼泊金异丁酯 --> 对羟基苯乙酸乙酯 --> 4-羟基苯乙酸甲酯 --> 丁苯羟酸
  • 用途二:有机合成中间体，用于生产β-受体阻滞药阿替洛尔和葛根黄豆甙元有效成分－4,7-二羟基异黄酮的合成；还可用作农药中间体。
  • TCI Shanghai:4-羟基苯乙酸 4-Hydroxyphenylacetic Acid,>;99.0%(GC)(T)(156-38-7)
  • 方法一:1.由对氨基苯乙酸重氮化、水解而得。将对氨基苯乙酸与碱溶液配制成钠盐，再加入硫酸。冷至0℃，控制温度在0-5℃滴加硝酸钠溶液，加毕反应0.5h。。将所得的重氮液滴加至90-95℃的稀硫酸中，约1h滴完，再继续反应1h。反应液经脱色过滤，冷却后用乙酸乙酯提取，提取液回收乙酸乙酯后即得成品。收率约85%。2.3-氟对羟基苯乙酸。
  • 用途三:有机合成。有机合成中间体，用于生产β-受体阻滞药阿替洛尔和葛根黄豆甙元有效成分－4,7-二羟基异黄酮的合成；还可用作农药中间体。
  • MSDS 信息:4-Hydroxyphenylacetic acid(156-38-7).msds
  • 系菸酰胺的代谢物。易溶于乙醚、乙醇、乙酸乙酯，溶于水。沸点升华。对眼睛、呼吸系统、皮肤有刺激性。
  • Alfa Aesar:4-羟基苯乙酸,99% 4-Hydroxyphenylacetic acid, 99%(156-38-7)
  • Hazard Note:Irritant
  • 图谱信息:对羟基苯乙酸(156-38-7)红外图谱(IR2) 对羟基苯乙酸(156-38-7)质谱(MS) 对羟基苯乙酸(156-38-7)核磁图( 1 HNMR) 对羟基苯乙酸(156-38-7)红外图谱(IR1)
  • Sigma Aldrich:156-38-7(sigmaaldrich)
  • Acros Organics:4-羟基苯乙酸 4-Hydroxyphenylacetic acid, 98%(156-38-7)
  • 用途一:是合成新药物4,7-二羟基异黄酮的中间体，还可用作农药中间体
  • MOL 文件:156-38-7.mol
  • 海关编码:29182990
  • 对羟基苯乙酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 H0290 4-羟基苯乙酸 4-Hydroxyphenylacetic Acid 500G 3470元 2014/06/02 H0290 4-羟基苯乙酸 4-Hydroxyphenylacetic Acid 25G 603元 2010/06/21 121711000 对羟基苯乙酸 4-Hydroxyphenylacetic acid 98% 100 GR 1190元
  • 上游原料:苯酚 --> 乙二醛 --> 乙醛酸 --> 对氨基苯乙酸

系列性分类

  1. Life Science 生命科学
  2. Biochemicals and Reagents 生化试剂
  3. Fluorescent Probes, Labels, Particles and Stains - Biochemicals and Reagents
  4. Fluorescent Labels - Fluorescent Probes, Labels, Particles and Stains
  5. Other Fluorescent Labels - Fluorescent Labels
  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. Aromatic acids
  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. C7
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Fluorescent Probes, Labels, Particles and Stains
  4. Fluorescent Labels
  5. Fluorescein and Derivatives
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Luminescent Compounds/Detection
  4. Fluorescent Probes, Labels, Particles and Stains
  5. Fluorescent Labels
  6. Fluorescein and Derivatives
  1. Medical Research Areas
  2. Metabolism
  3. Endogenous Metabolite  (内源性代谢物)

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