Ethyl indole-2-carboxylate
- CAS No.
- 3770-50-1
- Chemical Name:
- Ethyl indole-2-carboxylate
- Synonyms
- ETHYL 1H-INDOLE-2-CARBOXYLATE;2-CARBETHOXYINDOLE;ICA-OEt;NSC 10076;TIMTEC-BB SBB003670;Ethyl indole-2-carbo;SPECS AF-966/00545036;2-Ethoxycarbonylindole;ETHYL 2-INDOLECARBOXYLATE;PERINDOPRIL INTERMEDIATES
- CBNumber:
- CB7427732
- Molecular Formula:
- C11H11NO2
- Molecular Weight:
- 189.21
- MOL File:
- 3770-50-1.mol
- MSDS File:
- SDS
- Modify Date:
- 2024/7/14 20:44:35
| Melting point | 122-125 °C (lit.) |
|---|---|
| Boiling point | 324.47°C (rough estimate) |
| Density | 1.1596 (rough estimate) |
| refractive index | 1.5012 (estimate) |
| storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
| pka | 15.01±0.30(Predicted) |
| form | Crystals or Crystalline Powder |
| color | White to yellow |
| BRN | 146395 |
| InChI | InChI=1S/C11H11NO2/c1-2-14-11(13)10-7-8-5-3-4-6-9(8)12-10/h3-7,12H,2H2,1H3 |
| InChIKey | QQXQAEWRSVZPJM-UHFFFAOYSA-N |
| SMILES | N1C2=C(C=CC=C2)C=C1C(OCC)=O |
| CAS DataBase Reference | 3770-50-1(CAS DataBase Reference) |
| NIST Chemistry Reference | 1H-indole-2-carboxylic acid, ethyl ester(3770-50-1) |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H302-H315-H319-H332-H335 | |||||||||
| Precautionary statements | P261-P280-P305+P351+P338 | |||||||||
| Safety Statements | 24/25 | |||||||||
| WGK Germany | 3 | |||||||||
| Hazard Note | Keep Cold | |||||||||
| HazardClass | IRRITANT | |||||||||
| HS Code | 29339990 | |||||||||
| NFPA 704 |
|
Ethyl indole-2-carboxylate price More Price(4)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich(India) | E32800 | Ethyl indole-2-carboxylate 97% | 3770-50-1 | 5G | ₹4503.2 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | E32800 | Ethyl indole-2-carboxylate 97% | 3770-50-1 | 25G | ₹15934.4 | 2022-06-14 | Buy |
| TCI Chemicals (India) | I0585 | Ethyl Indole-2-carboxylate min. 98.0 % | 3770-50-1 | 5G | ₹12900 | 2022-05-26 | Buy |
| TCI Chemicals (India) | I0585 | Ethyl Indole-2-carboxylate min. 98.0 % | 3770-50-1 | 25G | ₹57500 | 2022-05-26 | Buy |
Ethyl indole-2-carboxylate Chemical Properties,Uses,Production
Chemical Properties
white to yellow crystals or crystalline powder
Preparation
Indole-2-carb-oxy-lic acid (0.50 g, 3.1 mmol) was dissolved in SOCl2 (19 ml) at 0°C. After stirring for 1 h, the solution was rotary evaporated, and the resulting oil was added to absolute ethanol (17 ml) at room temperature. After stirring overnight, the solution was vacuum filtered to yield ethyl 1H-indole-2-carboxyl-ate as a beige solid, which was recrystallized from methanol to yield 0.54 g (2.9 mmol, 93%) of the product[1].
References
[1] Will E. Lynch , Clifford W. Padgett, Christine R. Whitlock . “Ethyl 1H-indole-2-carboxyl-ate.” IUCrData 5 (2020): Article x201205.
Synthesis Reference(s)
Chemical and Pharmaceutical Bulletin, 39, p. 1152, 1991 DOI: 10.1248/cpb.39.1152
structure and hydrogen bonding
Lynch et al. report the crystal structure of ethyl 1H-indole-2-carboxyl-ate, which forms a hydrogen-bonded dimer. The hydrogen bonding occurs between N atoms of the indole ring and the keto oxygen atoms with an R(10) synthon. The hydrogen bond between N1 and O2i is characterized by an N…O separation of 2.877 Å;, and the ring motifs are placed on inversion centres in the space group P21/c. The crystal structure exhibits a classic herringbone pattern, with the blocks of hydrogen-bonded dimers and the zigzag running along the b-axis direction. The mol-ecule is nearly planar, with a r.m.s.d. of 0.028 Å for the non-hydrogen atoms. No other short contacts or π–π inter-actions are observed in the crystal[1].
Ethyl indole-2-carboxylate Preparation Products And Raw materials
Raw materials
Preparation Products
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| ASM Organics | 58 |
| Anand Agencies | 58 |
| Souvenier Chemicals | 58 |
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