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| CAS No.: | 37033-95-7 |
|---|---|
| Name: | ETHYL 5-BENZYLOXYINDOLE-2-CARBOXYLATE |
| Molecular Structure: | |
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| Formula: | C18H17NO3 |
| Molecular Weight: | 295.338 |
| Synonyms: | 2-Carbethoxy-5-(benzyloxy)indole;5-(Benzyloxy)-2-carbethoxyindole;5-(Benzyloxy)indole-2-carboxylic acid ethyl ester;NSC 30931; |
| EINECS: | 253-322-0 |
| Density: | 1.226 g/cm3 |
| Melting Point: | 163 °C |
| Boiling Point: | 481.4 °C at 760 mmHg |
| Flash Point: | 244.9 °C |
| Hazard Symbols: |
 Xi
|
| Safety: | 22-24/25 |
| PSA: | 51.32000 |
| LogP: | 3.92360 |
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Specification
The Ethyl 5-(benzyloxy)-1H-indole-2-carboxylate with cas registry number of 37033-95-7, its system generated number is 0037033957. Both its IUPAC name and systematic name is ethyl 5-phenylmethoxy-1H-indole-2-carboxylate. And it is also called 1H-Indole-2-carboxylic acid, 5-(phenylmethoxy)-, ethyl ester.
Physical properties about this chemical are: (1)XLogP3: 4.6; (2)H-Bond Donor: 1; (3)H-Bond Acceptor: 3; (4)Rotatable Bond Count: 6; (5)Tautomer Count: 5; (6)Exact Mass: 295.120843; (7)MonoIsotopic Mass: 295.120843; (8)Topological Polar Surface Area: 51.3; (9)Heavy Atom Count: 22; (10)Formal Charge: 0; (11)Complexity: 367; (12)Isotope Atom Count: 0; (13)Defined Atom StereoCenter Count: 0; (14)Undefined Atom StereoCenter Count: 0; (15)Defined Bond StereoCenter Count: 0; (16)Undefined Bond StereoCenter Count: 0; (17)Covalently-Bonded Unit Count: 1.
Uses of Ethyl 5-(benzyloxy)-1H-indole-2-carboxylate: it can be used to produce 5-benzyloxy-indole-2-carboxylic acid. This reaction will need reagent aq.-ethanolic KOH.
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When you are using this chemical, please be cautious about it as the following:
Do not breathe dust.And avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C18H17NO3/c1-2-21-18(20)17-11-14-10-15(8-9-16(14)19-17)22-12-13-6-4-3-5-7-13/h3-11,19H,2,12H2,1H3; (2)Smiles: c1([nH]c2ccc(cc2c1)OCc1ccccc1)C(=O)OCC.