CAS 133697-31-1

5H-1,3-Dioxino[5,4-b]pyridine-5-carboxylic acid, 7-(acetylamino)-8-(acetyloxy)hexahydro-2-phenyl-, 1,1-dimethylethyl ester, [2R-(2α,4aα,7α,8β,8aβ)]-

Description:

5H-1,3-Dioxino[5,4-b]pyridine-5-carboxylic acid, 7-(acetylamino)-8-(acetyloxy)hexahydro-2-phenyl-, 1,1-dimethylethyl ester, with CAS number 133697-31-1, is a complex organic compound characterized by its unique structural features, including a dioxin ring fused with a pyridine moiety. This compound exhibits a range of functional groups, such as carboxylic acid, acetylamino, and acetyloxy, which contribute to its chemical reactivity and potential biological activity. The presence of a hexahydro structure indicates saturation in part of the molecule, while the dimethylethyl ester group suggests it may have lipophilic properties, enhancing its solubility in organic solvents. The stereochemistry, denoted by the specific R and α/β configurations, implies that the compound may exhibit chirality, which can influence its interactions in biological systems. Overall, this compound may be of interest in medicinal chemistry and pharmacology due to its potential therapeutic applications, although specific biological activities would require further investigation.

Formula: C₂₂H₃₀N₂O₇

InChI: InChI=1S/C22H30N2O7/c1-13(25)23-16-11-24(21(27)31-22(3,4)5)17-12-28-20(15-9-7-6-8-10-15)30-19(17)18(16)29-14(2)26/h6-10,16-20H,11-12H2,1-5H3,(H,23,25)/t16-,17+,18+,19+,20+/m0/s1

InChI key: InChIKey=WSSWCNOMZDCKSM-OMQSBVIBSA-N

SMILES: O(C(C)=O)[C@H]1[C@]2([C@](N(C(OC(C)(C)C)=O)C[C@@H]1NC(C)=O)(CO[C@H](O2)C3=CC=CC=C3)[H])[H]

Synonyms:

• 5H-1,3-Dioxino[5,4-b]pyridine-5-carboxylic acid, 7-(acetylamino)-8-(acetyloxy)hexahydro-2-phenyl-, 1,1-dimethylethyl ester, [2R-(2α,4aα,7α,8β,8aβ)]-
• TERT-BUTYL 8-(ACETYLOXY)-7-ACETAMIDO-2-PHENYL-HEXAHYDRO-2H-[1,3]DIOXINO[5,4-B]PYRIDINE-5-CARBOXYLATE
• 2-Acetamido-3-O-acetyl-4,6-benzylidene-N-Boc-1,2,5-trideoxy-1,5-imino-D-glucitol
• 5H-1,3-Dioxino[5,4-b]pyridine-5-carboxylic acid, 7-(acetylamino)-8-(acetyloxy)hexahydro-2-phenyl-, 1,1-dimethylethyl ester, [2R-(2α,4aα,7α,8β,8aβ)]- (9CI)
• 2-Acetamido-3-O-acetyl-4,6-benzylidene-N-Boc-1,2,5-trideoxy-1,5-imino-glucitol

2-Acetamido-3-O-acetyl-4,6-benzylidene-N-Boc-1,2,5-trideoxy-1,5-imino-D-glucitol

CAS: 133697-31-1

Ref: 7W-GC9037

2-Acetamido-3-O-acetyl-4,6-benzylidene-N-Boc-1,2,5-trideoxy-1,5-imino-D-glucitol

CAS: 133697-31-1

2-Acetamido-3-O-acetyl-4,6-benzylidene-N-Boc-1,2,5-trideoxy-1,5-imino-D-glucitol is a carbohydrate that is synthesized by a click modification of 4,6 benzylidene N Boc glucitol. The synthesis of this compound was accomplished by the use of a two step process to convert the starting material into 2 acetamido 3 O acetyl 4,6 benzylidene 1,2 5 trideoxy 1 5 imino D glucitol. The first step involved the conversion of 4 6 benzylidene 1 2 5 trideoxy 1 5 imino D glucitol to 2 acetamido 3 O acetyl 4 6 benzylidene 1 2 5 trideoxy 1 5 imino D glucitol. In the second step, this compound was converted to 2 acetamido 3 O acetyl

Formula: C₂₂H₃₀N₂O₇

Purity: Min. 95%

Molecular weight: 434.48 g/mol

Ref: 3D-MA04440