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°C, stored under nitrogen {} {} {} {}
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


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