1-Methyl-3-Indoleacetic Acid 1-甲基-3-吲哚乙酸
CAS 1912-48-7 MFCD00130160
化学结构图
SMILES: Cn1cc(CC(=O)O)c2ccccc21
化学属性
| Mol. Formula | C11H11NO2 |
|---|---|
| Mol. Weight | 189 |
| Melting Point | 126-128 °C(lit.) |
别名和识别编码
| Chemical Name | 1-Methyl-3-Indoleacetic Acid |
|---|---|
| CAS Number | 1912-48-7 |
| Alfabeta Name | METHYLINDOLYLACETICACID H2113()------ |
| MDL Number | MFCD00130160 |
| 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 ID | 254166 |
| Chemical Name Translation | 1-甲基-3-吲哚乙酸 |
| LabNetwork Molecule ID | LN00147925 |
| InChI | InChI=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
GHS Symbol
- 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
- 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
- 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；
- 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
