4-[2-[[(1,1-Dimethylethoxy)carbonyl]methylamino]ethoxy]benzenepropanoic Acid Methyl Ester - CAS 850723-98-7
Catalog: |
BB067020 |
Product Name: |
4-[2-[[(1,1-Dimethylethoxy)carbonyl]methylamino]ethoxy]benzenepropanoic Acid Methyl Ester |
CAS: |
850723-98-7 |
Synonyms: |
4-[2-[[(1,1-Dimethylethoxy)carbonyl]methylamino]ethoxy]benzenepropanoic Acid Methyl Ester; Methyl 3-[4-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]phenyl]propanoate; Methyl 3-(4-(2-((tert-butoxycarbonyl)(methyl)amino)ethoxy)phenyl)propanoate |
IUPAC Name: | methyl 3-[4-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]phenyl]propanoate |
Description: | 4-[2-[[(1,1-Dimethylethoxy)carbonyl]methylamino]ethoxy]benzenepropanoic Acid Methyl Ester is an intermediate in the synthesis of Rosiglitazone (R693500) related compounds involved in the binding of peroxisome proliferator activated receptor gamma (PPAR-γ). |
Molecular Weight: | 337.41 |
Molecular Formula: | C18H27NO5 |
Canonical SMILES: | CC(C)(C)OC(=O)N(C)CCOC1=CC=C(C=C1)CCC(=O)OC |
InChI: | InChI=1S/C18H27NO5/c1-18(2,3)24-17(21)19(4)12-13-23-15-9-6-14(7-10-15)8-11-16(20)22-5/h6-7,9-10H,8,11-13H2,1-5H3 |
InChI Key: | RRWVCEISRMYFSS-UHFFFAOYSA-N |
Solubility: | DCM |
Appearance: | Yellow Oil |
References: | Usui, S., et al. Bioorg. Med. Chem. Lett., 15, 1547 (2005). |
Complexity: | 397 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 337.18892296 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 337.18892296 |
Rotatable Bond Count: | 10 |
Topological Polar Surface Area: | 65.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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