1,1-Dimethylethyl 3-formyl-1H-pyrrolo[2,3-b]pyridine-1-carboxylate 3-甲酰基-1H-吡咯并[2,3-b]吡啶-1-甲酸叔丁酯

CAS 144657-66-9 MFCD11045434

化学结构图

144657-66-9
SMILES: CC(C)(C)OC(=O)N1C=C(C=O)C2C=CC=NC1=2

化学属性

Mol. FormulaC13H14N2O3
Mol. Weight246
Melting Point124-129
Density1.422

别名和识别编码

Chemical Name1,1-Dimethylethyl 3-formyl-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
CAS Number144657-66-9
Alfabeta NameBUTYLFORMYLPYRROLOPYRIDINECARBOXYLATE TERTHB31231[]-------,
MDL NumberMFCD11045434
Synonym 1-(tert-Butoxycarbonyl)-3-formyl-7-azaindole,3-Formyl-pyrrolo[2,3-b]pyridine-1-carboxylic acid tert-butyl ester 1-(叔丁氧羰基)-3-甲酰基-7-氮杂吲哚 3-甲酰基-吡咯并[2,3-b]吡啶-1-羧酸叔丁酯
EC Number250-023-7
Beilstein Registry Number2384789
Chemical Name Translation3-甲酰基-1H-吡咯并[2,3-b]吡啶-1-甲酸叔丁酯
PubChem Substance ID329761861
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分类

  • Aldehydes, Azaindoles, Building Blocks, C13 to C27, C13-C60, Carbonyl Compounds, Chemical Synthesis, Heterocyclic Building Blocks, Indoles, Organic Building Blocks
  • {KO} Aldehydes
  • {KO} tBocN
  • {SNA} Aldehydes, Azaindoles, Building Blocks, C13 to C27, C13-C60, Carbonyl Compounds, Chemical Synthesis, Heterocyclic Building Blocks, Indoles, Organic Building Blocks

安全信息

Warnings IRRITANT
GHS Symbol
WGK Germany3
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。
Signal word Warning
Hazard statements
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H302 Harmful if swallowed 吞食有害
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Safety Statements
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
Hazard Codes Xn

药物吸收、分布、代谢与排泄(ADME)

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

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. 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. C13-C60 - Aldehydes
  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. Pyridines 吡啶

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