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

CAS: 81732-49-2

Ref. TR-D473403

Product Information

• Name: N,​N-​Dimethyl-carbamic Acid C,​C'-​[5-​(2-​Bromoacetyl)​-​1,​3-​phenylene] Ester
• Synonyms: 5-(2-Bromoacetyl)-1,3-phenylene Bis(dimethylcarbamate),N,​N-​Dimethyl-carbamic Acid 5-(Bromoacetyl)-1,3-phenylene Ester
• Brand: TRC
• Description: 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),

Chemical properties

• Molecular weight: 373.2
• Formula: C₁₄H₁₇BrN₂O₅
• Color/Form: Neat
• InChI: InChI=1S/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=MZVCLCMWDVOQAH-SOCHZDMXSA-N
• SMILES: C[C@H](CCC(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@H]2C3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3C[C@H](O)[C@@]21C