5-Methoxyindole-3-Carboxaldehyde 5-甲氧基吲哚-3-甲醛

CAS 10601-19-1 MFCD00005623

化学结构图

10601-19-1
SMILES: COC1=CC2C(C=O)=CNC=2C=C1

化学属性

Mol. FormulaC10H9NO2
Mol. Weight175
Melting Point179
Density1.422
TSCANo
Solubility不溶
Stability对空气敏感

别名和识别编码

Chemical Name5-Methoxyindole-3-Carboxaldehyde
CAS Number10601-19-1
Alfabeta NameMETHOXYINDOLECARBALDEHYDE H513-----
MDL NumberMFCD00005623
Synonym 3-Formyl-5-methoxyindole 5-甲氧基吲哚-3-甲醛
PubChem Substance ID87573225
Beilstein Registry Number132769
EC Number234-220-5
Reaxys-RN132769
Chemical Name Translation5-甲氧基吲哚-3-甲醛
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分类

  • {KO} AminesSecondaryHeteroNH
  • {KO} Aldehydes
  • Aldehydes, Building Blocks, C10, C10-C12, Carbonyl Compounds, Chemical Synthesis, Heterocyclic Building Blocks, Indoles, Organic Building Blocks
  • {SNA} Aldehydes, Building Blocks, C10, C10-C12, Carbony

相关文献及参考

  • 1. Dolusic, E.; et al. J. Med. Chem. 54 , 5320, (2011) 摘要
  • 2. Wu, S.; et al. J. Med. Chem. 54 , 2668, (2011) 摘要
  • 3. Al-Tel, T., H.; et al. Eur. J. Med. Chem. 46 , 1874, (2011) 摘要
  • 4. Brwn, A., S.; et al. Org. Biomolecular Chem. 9 , 2142, (2011) 摘要
  • 5. Rasras, A., J., M.; et al. Eur. J. Med. Chem. 45 , 2307, (2010) 摘要
  • 6. Zhou, J.; et al. Invest. New Drugs 28 , 291, (2010) 摘要
  • Beil. 21 ,IV,6123
  • FT-IR 1 (2), 666:D / FT-IR 2 (3), 3589:B / FT-NMR 1 (3), 136:C / IR-Spectra (2), 1087:H / IR-Spectra (3), 1251:G / NMR-Reference 2 (2), 533:B / RegBook 1 (2), 2411:G / Sigma FT-IR 1 (2), 710:A / Structure Index 1 , 382:A:6

安全信息

Warnings IRRITANT, AIR SENSITIVE
WGK Germany3
Signal word Warning
GHS Symbol
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；
  • S37 Wear suitable gloves 戴适当手套；
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
  • 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
  • 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。
  • 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
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P305+P351+P338
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P332+P313
  • P305+P351+P338+P337+P313
  • P302+P350
  • P337+P313
  • P302+P352+P332+P313+P362+P364
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • 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
Storage condition 储存温度2-8℃ Air Sensitive
Hazard Codes Xi

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 Donors
1
H-bond Acceptors
2
Rotatable Bonds
2
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. Indazoles 吲唑
  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. Indolines 吲哚啉
  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. Aldehydes - Carbonyl Compounds
  6. C10-C12 - Aldehydes
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Chemicals by Class 化学分类法
  4. Indoles

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