CAS 81732-49-2

C,C′-[5-(2-Bromoacetyl)-1,3-phenylene] bis(N,N-dimethylcarbamate)

Description:

C,C′-[5-(2-Bromoacetyl)-1,3-phenylene] bis(N,N-dimethylcarbamate) is a synthetic organic compound characterized by its unique structure, which includes a phenylene backbone substituted with a bromoacetyl group and two N,N-dimethylcarbamate moieties. This compound typically exhibits properties associated with both aromatic and carbamate functionalities, such as moderate solubility in organic solvents and potential reactivity due to the presence of the bromoacetyl group, which can participate in nucleophilic substitution reactions. The carbamate groups contribute to its stability and may influence its biological activity, making it of interest in medicinal chemistry and agrochemical applications. The presence of bromine in the structure may also impart specific electronic and steric effects, enhancing its reactivity or interaction with biological targets. Overall, this compound's characteristics make it a subject of interest for further research in various chemical and pharmaceutical fields.

Formula: C₁₄H₁₇BrN₂O₅

InChI: InChI=1/C14H17BrN2O5/c1-16(2)13(19)21-10-5-9(12(18)8-15)6-11(7-10)22-14(20)17(3)4/h5-7H,8H2,1-4H3

InChI key: InChIKey=UIWCLPRSQHCCHA-UHFFFAOYSA-N

SMILES: O(C(N(C)C)=O)C1=CC(C(CBr)=O)=CC(OC(N(C)C)=O)=C1

Synonyms:

• 5-(Bromoacetyl)Benzene-1,3-Diyl Bis(Dimethylcarbamate)
• C,C′-[5-(2-Bromoacetyl)-1,3-phenylene] bis(N,N-dimethylcarbamate)
• Carbamic acid, N,N-dimethyl-, C,C′-[5-(2-bromoacetyl)-1,3-phenylene] ester
• Carbamic acid, dimethyl-, 5-(bromoacetyl)-1,3-phenylene ester
• 5-(Bromoacetyl)-1,3-phenylene bis(dimethylcarbamate)

Bambuterol Impurity 2

CAS: 81732-49-2

Formula: C₁₄H₁₇BrN₂O₅

Molecular weight: 373.20

Ref: 4Z-B-137008

N,​N-​Dimethyl-carbamic Acid C,​C'-​[5-​(2-​Bromoacetyl)​-​1,​3-​phenylene] Ester

Controlled Product

CAS: 81732-49-2

Applications N,​N-​Dimethyl-carbamic Acid C,​C'-​[5-​(2-​Bromoacetyl)​-​1,​3-​phenylene] Ester is an intermediate in synthesizing 1-Keto Bambuterol Hydrochloride (K171500), a Bambuterol (B117500) impurity.
References Birnbaum, S., et al.: J. Chromatography, 587, 268 (1991),

Formula: C₁₄H₁₇BrN₂O₅

Color and Shape: Neat

Molecular weight: 373.2

Ref: TR-D473403