CAS 518047-40-0

1,1-Dimethylethyl 3-cyano-4-morpholinecarboxylate

Description:

1,1-Dimethylethyl 3-cyano-4-morpholinecarboxylate, identified by its CAS number 518047-40-0, is an organic compound characterized by its unique functional groups. It features a cyano group (-CN) and a morpholine ring, which contribute to its chemical reactivity and potential applications in various fields, including pharmaceuticals and agrochemicals. The presence of the tert-butyl group (1,1-dimethylethyl) enhances its steric bulk, which can influence its interaction with biological targets or other chemical species. This compound is typically a colorless to pale yellow liquid or solid, depending on its purity and specific conditions. Its solubility in organic solvents suggests it may be used in formulations requiring compatibility with non-polar environments. Additionally, the morpholine moiety can impart basic properties, making it a potential candidate for reactions involving nucleophiles or electrophiles. Safety data should be consulted for handling and storage, as with any chemical substance, to ensure proper precautions are taken due to potential toxicity or reactivity.

Formula: C₁₀H₁₆N₂O₃

InChI: InChI=1S/C10H16N2O3/c1-10(2,3)15-9(13)12-4-5-14-7-8(12)6-11/h8H,4-5,7H2,1-3H3

InChI key: InChIKey=QSBSEJKNKHZYKD-UHFFFAOYSA-N

SMILES: C(OC(C)(C)C)(=O)N1C(C#N)COCC1

Synonyms:

• 3-Cyano-4-morpholinecarboxylic acid tert-butyl ester
• 1,1-Dimethylethyl 3-cyano-4-morpholinecarboxylate
• 4-Morpholinecarboxylic acid, 3-cyano-, 1,1-dimethylethyl ester

tert-Butyl 3-cyanomorpholine-4-carboxylate

CAS: 518047-40-0

Formula: C₁₀H₁₆N₂O₃

Purity: 98%

Color and Shape: Solid

Molecular weight: 212.2456

Ref: IN-DA00D8FR

tert-Butyl 3-cyanomorpholine-4-carboxylate

CAS: 518047-40-0

tert-Butyl 3-cyanomorpholine-4-carboxylate

Purity: 98%

Molecular weight: 212.25g/mol

Ref: 54-OR81225

N-Boc-3-Cyanomorpholine

CAS: 518047-40-0

Formula: C₁₀H₁₆N₂O₃

Purity: 98%

Molecular weight: 212.249

Ref: 10-F221704

tert-Butyl 3-Cyanomorpholine-4-carboxylate

Controlled Product

CAS: 518047-40-0

Applications tert-Butyl 3-Cyanomorpholine-4-carboxylate is used as a reactant for the synthesis of HIV integrase inhibitors.
References Gardelli, C., et. al.: J. Med. Chem., 50, 4953 (2007); Pace, P., et. al.: J. Med. Chem., 50, 2225 (2007); Summa, V., et. al.: J. Med. Chem., 49, 6646 (2006)

Formula: C₁₀H₁₆N₂O₃

Color and Shape: Neat

Molecular weight: 212.246

Ref: TR-B692290

N-Boc-3-Cyanomorpholine

CAS: 518047-40-0

Versatile small molecule scaffold

Formula: C₁₀H₁₆N₂O₃

Purity: Min. 95%

Molecular weight: 212.25 g/mol

Ref: 3D-TVA04740