4-Chloro-7-tosyl-7H-pyrrolo[2,3-d]pyrimidine 4-氯-7-甲苯磺酰基-7H-吡咯[2,3-D]嘧啶

CAS 479633-63-1 MFCD09907939

化学结构图

479633-63-1
SMILES: CC1C=CC(=CC=1)S(=O)(=O)N1C=CC2C(Cl)=NC=NC1=2

化学属性

Mol. FormulaC13H10ClN3O2S
Mol. Weight307.76
Melting Point145.0 to 149.0 deg-C
Density
Boiling Point505.3°C at 760 mmHg

别名和识别编码

Chemical Name4-Chloro-7-tosyl-7H-pyrrolo[2,3-d]pyrimidine
CAS Number479633-63-1
Alfabeta NameCHLOROMETHYLBENZENESULFONYLPYRROLOPYRIMIDINE HD474723[[]]()-------,
MDL NumberMFCD09907939
Synonym 4-Chloro-7-tosyl-7H-pyrrolo[2,3-d]pyrimidine {LY} 4-Chloro-7-tosyl-7H-pyrrolo[2,3-d]pyrimidine {} {LY} 4-Chloro-7-tosyl-7H-pyrrolo[2,3-d]pyrimidine {} {} {LY} 4-Chloro-7-tosyl-7H-pyrrolo[2,3-d]pyrimidine {} {} {} {LY} 4-Chloro-7-tosyl-7H-pyrrolo[2,3-d]pyrimidine {} {} {} {} {LY} 4-Chloro-7-tosyl-7H-pyrrolo[2,3-d]pyrimidine {} {} {} {} {} {LY} 4-Chloro-7-tosyl-7H-pyrrolo[2,3-d]pyrimidine {} {} {} {} {} {} {LY} 4-Chloro-7-tosyl-7H-pyrrolo[2,3-d]pyrimidine {} {} {} {} {} {} {} {LY} 4-Chloro-7-tosyl-7H-pyrrolo[2,3-d]pyrimidine {} {} {} {} {} {} {} {} {LY} 4-Chloro-7-tosyl-7H-pyrrolo[2,3-d]pyrimidine {} {} {} {} {} {} {} {} {} {LY} 4-Chloro-7-tosyl-7H-pyrrolo[2,3-d]pyrimidine {} {} {} {} {} {} {} {} {} {} {LY} 4-Chloro-7-tosyl-7H-pyrrolo[2,3-d]pyrimidine {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chloro-7-tosyl-7H-pyrrolo[2,3-d]pyrimidine {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chloro-7-tosyl-7H-pyrrolo[2,3-d]pyrimidine {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlo
PubChem Substance ID253660737
EC Number
Beilstein Registry Number
Chemical Name Translation4-氯-7-甲苯磺酰基-7H-吡咯[2,3-D]嘧啶
Reaxys-RN14574302
Canonical SMILESO=S(N1C=CC2=C(Cl)N=CN=C21)(C3=CC=C(C)C=C3)=O
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分类

  • {KO} ReacChlorides
  • {SNA} Building Blocks, C12 to C15, C12 to C30+, C13 to C15, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, Pyridines, Pyrimidines

安全信息

Warnings IRRITANT
GHS Symbol
WGK Germany3
Signal word Warning
Hazard Codes Xn
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H315 Causes skin irritation 会刺激皮肤
UN Number
Safety Statements
Precautionary statements
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • 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
  • P302+P352+P332+P313+P362+P364
  • P305 IF IN EYES: 如果进入眼睛
  • P305+P351+P338+P337+P313
RTECS
Packing Group
Storage condition -20°C, sealed storage, away from moisture {LY} -20°C, sealed storage, away from moisture {} {LY} -20°C, sealed storage, away from moisture {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C, seal

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Acceptors
4
Rotatable Bonds
2
H-bond Donors
0
LogP
3

系列性分类

  1. C13 to C40 - Pyridines
  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. Halogenated Heterocycles 卤代杂环
  5. Pyridines - Halogenated Heterocycles
  6. C12 to C15 - Pyridines

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