tert-Butyl 3-(bromomethyl)phenylcarbamate
Product Specifications
- CAS
- 118684-32-5
- MF
- C12H16BrNO2
- Appearance
- yellow to off-white solid
- Synonym(s)
- tert-Butyl (3-(bromomethyl)phenyl)carbamate; TerT-Butyl-3-(bromomethyl)phenyl carbamate; Carbamic acid, N-[3-(bromomethyl)phenyl]-, 1,1-dimethylethyl ester; 2-Methyl-2-propanyl [3-(bromomethyl)phenyl]carbamate; 3-[(tert-Butoxycarbonyl)amino]benzyl bromide; 1,1-Dimethylethyl N-[3-(bromomethyl)phenyl]carbamate
- Shipping
- ambient temperature
- Storage
- 2-8°C
tert-Butyl 3-(bromomethyl)phenylcarbamate is the PubChem Title connected to CAS 118684-32-5 and molecular formula C12H16BrNO2. The CAS gives one result, CID 14523558, with molecular weight 286.16. PubChem records SMILES CC(C)(C)OC(=O)NC1=CC=CC(=C1)CBr and InChIKey HQPYEVSQMSDBFG-UHFFFAOYSA-N. Its live synonym list includes N-Boc-3-(bromomethyl)aniline, confirming that the protected-aniline wording denotes this carbamate graph.
The phenyl ring is bonded through nitrogen to a tert-butoxycarbonyl group. That carbamate connection is the full structural expression of N-Boc in the earlier name. A bromomethyl group occupies ring position 3 relative to the nitrogen attachment, so bromine is bonded to the external methylene carbon rather than directly to the aromatic ring. Both oxygens belong to the carbamate, while the tert-butyl group supplies four carbons. The verified structure is a single neutral component with no counterion or defined stereochemistry. Moving the bromomethyl unit would produce another positional isomer.
For a record-specific inquiry to Rlavie, cite CAS 118684-32-5, the preferred full title, and the requested quantity. Include a MOL or SDF structure file for comparison with PubChem CID 14523558, SMILES CC(C)(C)OC(=O)NC1=CC=CC(=C1)CBr, and InChIKey HQPYEVSQMSDBFG-UHFFFAOYSA-N. The review should confirm the meta bromomethyl position and the N-linked carbamate before request-specific details are considered. The N-Boc aniline synonym remains useful as a cross-reference, but it should not obscure whether bromine lies on the side-chain carbon or the ring itself.