tert-Butyl 4-bromo-3-formyl-1H-indole-1-carboxylate
Product Specifications
- CAS
- 303041-88-5
- Molecular Formula
- C14H14BrNO3
- Appearance
- beige solid
- Synonym(s)
- 1-Boc-4-Bromo-3-formylindole；tert-butyl 4-bromo-3-formylindole-1-carboxylate；4-Bromo-1H-indole-3-carboxaldehyde；tert-butyl 4-bromo-3-formyl-1H-indole-1-carboxylate
- Shipping
- ambient temperature
- Storage
- 2-8°C
- SMILES
- CC(C)(C)OC(=O)N1C=C(C2=C1C=CC=C2Br)C=O
- InChI
- InChI=1S/C14H14BrNO3/c1-14(2,3)19-13(18)16-7-9(8-17)12-10(15)5-4-6-11(12)16/h4-8H,1-3H3
Product Information
tert-Butyl 4-bromo-3-formyl-1H-indole-1-carboxylate is identified by CAS 303041-88-5 and molecular formula C14H14BrNO3. PubChem returns one compound for the CAS, CID 40428520, with molecular weight 324.17. Its verified graph is SMILES CC(C)(C)OC(=O)N1C=C(C2=C1C=CC=C2Br)C=O, and InChIKey URXQJQRVBNAQDT-UHFFFAOYSA-N points to the same neutral component. No stereochemical layer is specified.
The indole nitrogen bears a tert-butyl carboxylate group at position 1. An aldehyde is attached at position 3 and bromine at position 4 on the fused ring framework. Two oxygens form the N-carboxylate carbonyl/ether pair, while the third belongs to the formyl group. PubChem's Title contains the 1H indole notation, and its IUPAC name states tert-butyl 4-bromo-3-formylindole-1-carboxylate. The older “carboxylic acid tert-butyl ester” wording is an exact official synonym for these same connections. No bromide counterion is present.
To define an inquiry accurately, send Rlavie CAS 303041-88-5, the preferred full name, and the requested quantity with a MOL or SDF structure file. The submitted graph should be matched to PubChem CID 40428520, the official SMILES, and InChIKey URXQJQRVBNAQDT-UHFFFAOYSA-N before request-specific information is considered. Confirmation should retain the N-carboxylate, 3-formyl, and 4-bromo positions. A generic “bromo formyl indole ester” description does not specify the nitrogen attachment or either ring locant, so it cannot independently establish this molecular identity.