CAS 15050-04-1 Ethyl 6-methoxy-1H-indole-2-carboxylate (HCID 612959)

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Basic information

CAS: 15050-04-1
Standard SMILES: CCOC(=O)c1cc2ccc(OC)cc2[nH]1
InChIKey: HYFAOIAKHGVBMX-UHFFFAOYSA-N
Molecular formula: C12H13NO3
Average molar mass: 219.24 g/mol
Monoisotopic mass: 219.08954328

Names & identifiers

Preferred name: Ethyl 6-methoxy-1H-indole-2-carboxylate
IUPAC: ethyl 6-methoxy-1H-indole-2-carboxylate
English name: 6-Methoxy-1H-indole-2-carboxylic acid ethyl ester
Molecular formula: C12H13NO3
Molecular weight: 219.24

Names & synonyms

Ethyl 6-methoxy-1H-indole-2-carboxylate15050-04-16-Methoxy-1H-indole-2-carboxylic acid ethyl ester1H-Indole-2-carboxylic acid, 6-methoxy-, ethyl esterMFCD01544121ethyl 6-methoxyindole-2-carboxylateIndole-2-carboxylic acid, 6-methoxy-, ethyl esterEthyl6-methoxy-1H-indole-2-carboxylateOprea1_681677SCHEMBL1319990DTXSID80346514ALBB-014227

Show more names

6-Methoxy-1H-indole-2-carboxylic acid ethyl este

Ethyl 6-methoxy-2-indolecarboxylateLH0047AKOS005174370LS-04473SY040111Ethyl 6-methoxy-1H-indole-2-carboxylate #CS-0103593EN300-56916

Database identifiers

CAS: 15050-04-1
PubChem CID: 612959
DTXSID: DTXSID80346514
Nikkaji: J102.707G

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 51.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 16
Formal charge: 0
Complexity: 257

Physicochemical properties

Melting point: 135 · 135-136 °C
Boiling point: 380.2 · 380.2±22.0 °C(Predicted)
Density: 1.216 · 1.216±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 15.24 · 15.24±0.30(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H317
Precautionary statements: 280 · P280

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H317
Precautionary statements: P280

Chemistry & industry

Applications

UsesEthyl 6-Methoxy-1H-indole-2-carboxylate can be useful in enantio- and regioselective preparation of ((indolyl)naphthoquinone)esters via pyrrolidine catalyzed coupling of (indole)carbaldehydes with naphtoquinone esters.