Atomfair (S)-tert-Butyl (1-(4-bromophenyl)ethyl)carbamate C13H18BrNO2 CAS 847728-89-6

Description

(S)-tert-Butyl (1-(4-bromophenyl)ethyl)carbamate (CAS: 847728-89-6) is a high-purity chiral intermediate widely used in pharmaceutical research and organic synthesis. This compound, with the molecular formula C₁₃H₁₈BrNO₂, features a stereogenic center and a bromophenyl group, making it valuable for asymmetric synthesis and the development of active pharmaceutical ingredients (APIs). Its tert-butoxycarbonyl (Boc) protecting group ensures stability during synthetic transformations while allowing for selective deprotection under mild acidic conditions. Ideal for medicinal chemistry, this reagent is supplied as a white to off-white crystalline powder with ≥98% purity (HPLC). Store in a cool, dry place under inert atmosphere to maintain integrity. Available in research quantities up to bulk scale.

Properties

• CAS Number: 847728-89-6
• Complexity: 255
• IUPAC Name: tert-butyl N-[(1S)-1-(4-bromophenyl)ethyl]carbamate
• InChI: InChI=1S/C13H18BrNO2/c1-9(10-5-7-11(14)8-6-10)15-12(16)17-13(2,3)4/h5-9H,1-4H3,(H,15,16)/t9-/m0/s1
• InChI Key: KECPRZHCNCDSET-VIFPVBQESA-N
• Exact Mass: 299.05209
• Molecular Formula: C13H18BrNO2
• Molecular Weight: 300.19
• SMILES: C[C@@H](C1=CC=C(C=C1)Br)NC(=O)OC(C)(C)C
• Topological: 38.3
• Monoisotopic Mass: 299.05209
• Synonyms: (S)-tert-Butyl (1-(4-bromophenyl)ethyl)carbamate, 881-633-7, 847728-89-6, (S)-[1-(4-Bromophenyl)ethyl]carbamic acid tert-butyl ester, (S)-tert-butyl 1-(4-bromophenyl)ethylcarbamate, (S)-[1-(4-BROMO-PHENYL)-ETHYL]-CARBAMIC ACID TERT-BUTYL ESTER, tert-butyl N-[(1S)-1-(4-bromophenyl)ethyl]carbamate, tert-Butyl [(S)-1-(4-bromophenyl)ethyl]carbamate, tert-Butyl [(1S)-1-(4-bromophenyl)ethyl]carbamate, MFCD11506011, Carbamic acid, [(1S)-1-(4-bromophenyl)ethyl]-, 1,1-dimethylethyl ester, (S)-tert-Butyl(1-(4-bromophenyl)ethyl)carbamate, SCHEMBL256792, DTXSID90719932, KECPRZHCNCDSET-VIFPVBQESA-N, CS-D1764, AKOS015919561, AC-29331, AS-18566, DB-362381, EN300-4326998, t-butyl[(1S)-1-(4-bromophenyl)ethyl]carbamate, tert-butyl[(1S)-1-(4-bromophenyl)ethyl]carbamate, (S)-N-tert-butoxycarbonyl-1-(4-bromophenyl)ethylamine, tert-butyl N-[(S)-1-(4-bromophenyl)ethyl]carbamate, 1,1-dimethylethyl [(1S)-1-(4-bromophenyl)ethyl]carbamate, 1,1-dimethylethyl [(1S)-1-(4-bromophenyl)-ethyl]carbamate

This Boc-protected chiral amine serves as a key building block in the synthesis of biologically active compounds, particularly in the development of CNS-targeting drugs and enzyme inhibitors. Its bromophenyl moiety enables further functionalization via cross-coupling reactions (e.g., Suzuki, Heck). The stereochemistry allows for diastereoselective transformations in peptidomimetic synthesis. Researchers value this compound for constructing molecular scaffolds with defined chirality in drug discovery programs.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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