methyl 4-amino-2-methoxybenzoate 2-甲氧基-4-氨基苯甲酸甲酯

CAS 27492-84-8 MFCD00017202

化学结构图

27492-84-8
SMILES: COC(=O)c1ccc(N)cc1OC

化学属性

Mol. FormulaC9
Mol. Weight181
Melting Point157.0 to 161.0 deg-C
TSCANo

别名和识别编码

Chemical Namemethyl 4-amino-2-methoxybenzoate
CAS Number27492-84-8
Alfabeta NameMETHYLAMINOMETHOXYBENZENECARBOXYLATE 42---
MDL NumberMFCD00017202
Synonym 2-甲氧基-4-氨基苯甲酸甲酯 4-Amino-2-methoxybenzoic Acid 4-Amino-2-methoxybenzoic acid methyl ester
EC Number248-494-9
PubChem Substance ID87561229
Chemical Name Translation2-甲氧基-4-氨基苯甲酸甲酯
Reaxys-RN1869253
Beilstein Registry Number14(4)1973
InChIKeyYUPQMVSYNJQULF-UHFFFAOYSA-N
LabNetwork Molecule IDLN00010947
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分类

  • Aromatics
  • {KO} Anilines
  • Amines
  • {KO} Esters
  • Intermediates
  • {SNA} Building Blocks, C8 to C9, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks

产品应用

  • An intermediate in the synthesis of Metoclopramide

相关文献及参考

  • Murakami, M., et al.: Chem. Pharm. Bull., 19, 1696 (1971),

安全信息

Warnings IRRITANT
WGK Germany2
GHS Symbol
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。
  • P302+P352+P332+P313+P362+P364
  • P332+P313
  • P305+P351+P338+P337+P313
  • P302+P350
  • P337+P313
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
Signal word Warning
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H302 Harmful if swallowed 吞食有害
  • H319 Causes serious eye irritation 严重刺激眼睛
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Codes Xn
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；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
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
  • R22 Harmful if swallowed 吞咽有害

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
3
Rotatable Bonds
3
H-bond Donors
1
LogP
7.408000000000000e-001

系列性分类

  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. Esters - Carbonyl Compounds
  6. C8 to C9 - Esters
  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. Esters - Carbonyl Compounds
  6. C8 to C9 - Esters

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