1-Methyl-3-Indoleacetic Acid 1-甲基-3-吲哚乙酸

CAS 1912-48-7 MFCD00130160

化学结构图

1912-48-7
SMILES: Cn1cc(CC(=O)O)c2ccccc21

化学属性

Mol. FormulaC11H11NO2
Mol. Weight189
Melting Point126-128 °C(lit.)

别名和识别编码

Chemical Name1-Methyl-3-Indoleacetic Acid
CAS Number1912-48-7
Alfabeta NameMETHYLINDOLYLACETICACID H2113()------
MDL NumberMFCD00130160
Synonym 2-(N-Methylindole-3-yl)acetic acid NSC 78007 1-Methyl-3-indoleacetic acid; 2-(1-Methyl-1H-indol-3-yl)acetic acid 1-甲基-3-吲哚乙酸
PubChem Substance ID254166
Chemical Name Translation1-甲基-3-吲哚乙酸
LabNetwork Molecule IDLN00147925
InChIInChI=1S/C11H11NO2/c1-12-7-8(6-11(13)14)9-4-2-3-5-10(9)12/h2-5,7H,6H2,1H3,(H,13,14)
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分类

  • {SNA} Building Blocks, C11, Chemical Synthesis, Heterocyclic Building Blocks, Indoles
  • {KO} CarboxylicAcids

产品应用

  • ·Reactant for enantioselective preparation of α-aryl alkylcarboxylic acids·Reactant for preparation of PKC inhibitor methylindolylpyridinylmethylpiperidinylindolylpyrroledione for protein kinase C imaging·Reactant for stereoselective preparation of δ-lactones via Michael addition/lactonization with unsaturated carboxylates·Reactant for stereoselective preparation of vindorosine, vindoline, and analogs·Reactant for preparation of (indolyl)pyrrol-2-ones as VEGF-R inhibitors, antiangiogenic agents, and protein kinase inhibitors·Reactant for synthesis of 3-aryl-5-alkyl-2,5-dihydrofuran-2-ones and their carbanalogues as antifungal agents.

安全信息

Warnings IRRITANT
WGK Germany3
GHS Symbol
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。
  • 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。
  • P305+P351+P338
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H318 Causes serious eye damage 严重伤害眼睛
  • H302 Harmful if swallowed 吞食有害
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Signal word Danger
Safety Statements
  • 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；
  • S39 Wear eye/face protection 戴眼睛/面孔保护装置；
Hazard Codes Xn
Risk Statements
  • R37/38 Irritating to respiratory system and skin 对呼吸系统和皮肤有刺激性
  • R22 Harmful if swallowed 吞咽有害
  • R41 Risk of serious damage to eyes 有严重损伤眼睛的危险

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Acceptors
2
Rotatable Bonds
2
H-bond Donors
1
LogP
1

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Indoles 吲哚
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Indoles 吲哚
  5. C11 - Indoles
  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. Heterocyclic Building Blocks 杂环合成砌块
  4. Heterocyclic Acids 杂环酸
  5. Indole Acids

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