5-Methyl-1H-Pyrrole-2-Carboxylic Acid Ethyl Ester 5-甲基-吡咯-2-羧酸乙酯

CAS 3284-51-3 MFCD01006731

化学结构图

3284-51-3
SMILES:

化学属性

Mol. FormulaC8H11NO2
Mol. Weight153.20

别名和识别编码

Chemical Name5-Methyl-1H-Pyrrole-2-Carboxylic Acid Ethyl Ester
CAS Number3284-51-3
Alfabeta NameMETHYLPYRROLECARBOXYLICACIDETHYLESTER H512-----
MDL NumberMFCD01006731
Synonym ETHYL 5-METHYL-1H-PYRROLE-2-CARBOXYLATE 5-Methyl-1H-pyrrole-2-carboxylic acid ethyl ester ethyl 5-methylpyrrole-2-carboxylate 5-Methyl-1H-pyrrole-2-carboxylic acid ethyl ester 5-Methyl-1H-pyrrole-2-carboxylic acidethyl ester 5-methyl-pyrrole-2-carboxylic acid ethyl ester 5-METHYL-PYRROLE-2-CARBOXYLIC ACID ETHYL ESTER Ethyl 5-methyl-1H-pyrrole-2-carboxylate 5-METHYL-1H-PYRROLE-2-CARBOXYLIC ACID ETHYL ESTER 5-甲基-1H-吡咯-2-甲酸乙酯
Chemical Name Translation5-甲基-吡咯-2-羧酸乙酯
InChIKeyRIUNZXNCMZMRMP-UHFFFAOYSA-N
Wiswesser Line NotationT5MJ BVO2 E1
Beilstein Registry Number0122975
LabNetwork Molecule IDLN00010178
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分类

  • {uni_hamburg} no charge; nitrogen heterocycle; aromatic; 5ring; ester; 1fragment

相关文献及参考

  • Short: III/35C2 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Hydrogen-1, Part 2: Heterocycles Author: Gupta, R.R.; Jain, M. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35C2 Year: 2003 Keyword: chemical shift; coupling constant; molecular structure ISBN: 3-540-41057-0 ISBN: 978-3-540-41057-7 Internet Resource: DOI:10.1007/b89252 RefComment: VIII, 310 pages. With CD-ROM. Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), and carbon-13 (subvol. D) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CD-ROM's.
  • Short: III/35D3 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Carbon-13, Part 3: Heterocycles Author: Gupta, R.R.; Jain, M.; Lechner, M.D.; Mikhova, B.M. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35D3 Year: 2007 Keyword: C-13; NMR; carbon-13; chemical shifts; coupling constants; heterocycles; nuclear magnetic resonance ISBN: 978-3-540-29731-4 ISBN: 3-540-29731-6 Internet Resource: DOI: 10.1007/978-3-540-47067-0 RefComment: VIII, 342 p., 1 illus., Hardcover RefComment: Written for Science and engineers in the fields of physics, chemistry and physical chemistry who inted to use NMR to study the structure and the binding of molecules Abstract: Nuclear Magnetic Resonance (NMR) is based on the fact that certain nuclei exhibit a magnetic moment, orient by a magnetic field, and absorb characteristic frequencies in the radiofrequency part of the spectrum.

安全信息

Warnings IRRITANT
Hazard Codes Xi
RTECSUX9380000
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 320 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#02365

其他信息

  • MOL 文件:3284-51-3.mol
  • 上游原料:乙醇 --> 盐酸 --> 乙醚 --> 乙酸 --> 碳酸钾 --> 亚硝酸钠 --> 乙酰乙酸乙酯 --> 锌粉 --> 三氯乙酰氯 --> 4,4-二甲氧基-2-丁酮 --> 2-甲基吡咯

系列性分类


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