Ethyl 2-(((3aR,4S,6R,6aS)-6-((Benzyloxycarbonyl)amino)-2,2-dimethyltetrahydro-3aH-cyclopenta(d)(1,3)dioxol-4-yl)oxy)acetate, >95% (HPLC)

cas: 866551-95-3 — see every product listed under this CAS number, including other names

Ethyl 2-(((3aR,4S,6R,6aS)-6-((Benzyloxycarbonyl)amino)-2,2-dimethyltetrahydro-3aH-cyclopenta(d)(1,3)dioxol-4-yl)oxy)acetate, >95% (HPLC) (CAS 866551-95-3) is a chemical reagent available from Chemat. Available pack sizes: 100mg, 50mg. Offered by: TRC.

• 2D
• 3D

Ethyl 2-[[(3aR,4S,6R,6aS)-2,2-dimethyl-6-(phenylmethoxycarbonylamino)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]acetate (CAS 866551-95-3) is a chemical compound with the molecular formula C20H27NO7 and a molecular weight of 393.4 g/mol. IUPAC name: ethyl 2-[[(3aR,4S,6R,6aS)-2,2-dimethyl-6-(phenylmethoxycarbonylamino)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]acetate. InChIKey: LMOJGNUNTMQCBQ-MXSMSXNCSA-N.

Identity

Molecular formula	C20H27NO7
Molecular weight	393.4 g/mol
IUPAC name	ethyl 2-[[(3aR,4S,6R,6aS)-2,2-dimethyl-6-(phenylmethoxycarbonylamino)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]acetate
InChIKey	LMOJGNUNTMQCBQ-MXSMSXNCSA-N
SMILES	CCOC(=O)CO[C@H]1C[C@H]([C@H]2[C@@H]1OC(O2)(C)C)NC(=O)OCC3=CC=CC=C3

Computed by PubChem (NCBI)

Synonyms: Ticagrelor impurity 159

Isomers (same molecular formula)

(2S)-2-[[(2Z,4E)-5-[(1R)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoyl]amino]pentanedioic acid C₂₀H₂₇NO₇

[(7R,8R)-7-[(Z)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2R,3S,4S)-3-hydroxy-2,4-dimethyl-5-oxooxolane-3-carboxylate C₂₀H₂₇NO₇

1-O-benzyl 6-O-ethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxohexanedioate C₂₀H₂₇NO₇

1-O-benzyl 2-O-methyl (2S,3S)-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]pyrrolidine-1,2-dicarboxylate C₂₀H₂₇NO₇

4-[[(E,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxyhept-2-enoyl]amino]benzoic acid C₂₀H₂₇NO₇

2-[[(4S)-16,18-dihydroxy-4-methyl-2-oxo-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-8-ylidene]amino]oxyacetic acid C₂₀H₂₇NO₇