CAS 6045-08-5

tert-butyl-D9-amine

Description:

Tert-butyl-D9-amine, with the CAS number 6045-08-5, is an organic compound characterized by its structure, which includes a tert-butyl group attached to a primary amine. This compound is notable for its isotopic labeling, specifically the presence of deuterium (D) at the nine position, which can influence its physical and chemical properties. Tert-butyl-D9-amine is typically a colorless liquid or solid, depending on the temperature and purity, and it exhibits basic properties due to the amine functional group. It is soluble in organic solvents and may have limited solubility in water. The compound is often used in synthetic organic chemistry, particularly in the preparation of pharmaceuticals and agrochemicals, due to its ability to act as a nucleophile. Additionally, the presence of deuterium can be advantageous in studies involving kinetic isotope effects or in tracing reactions. Safety precautions should be taken when handling this compound, as with many amines, due to potential irritant properties.

Formula: C₁₅H₁₈N₄O₃

InChI: InChI=1/C15H18N4O3/c1-4-5-14-13(10-17(2)3)15(20)18(16-14)11-6-8-12(9-7-11)19(21)22/h6-10H,4-5H2,1-3H3/b13-10-

SMILES: CCCC1=NN(c2ccc(cc2)N(=O)=O)C(=O)/C/1=C\N(C)C

Synonyms:

• (4Z)-4-[(dimethylamino)methylidene]-2-(4-nitrophenyl)-5-propyl-2,4-dihydro-3H-pyrazol-3-one

2-Amino-2-methyl-d3-propane-1,1,1,3,3,3-d6

CAS: 6045-08-5

Formula: (CD₃)₃CNH₂

Purity: 99 atom % D

Color and Shape: Colorless Liquid

Molecular weight: 82.14564

Ref: 3U-D0355

tert-Butyl-d9-amine

Controlled Product

CAS: 6045-08-5

Stability Volatile
Applications tert-Butylamine is common reagent in pharmaceuticals syntheses. Used in the preparation of aminoBODIPY compounds for chemical analyses. Also it aids in the synthesis of benzylurea-based insecticides containing amide and sulfonate groups. It has also been used in the synthesis of BPTES analogs, that act as glutaminase inhibitors, which can attenuate the growth of human lymphoma B cells. This is the labeled analog.
E0
References Osorio-Martinez, C. et al.: J. Org. Chem., 77, 5434 (2012); Sun, R. et al.: J. Agri. Food, Chem., 61, 517 (2013); Shukla, K. et al.: J. Med. Chem., 55, 10551 (2012);

Formula: C₄D₉H₂N

Color and Shape: Neat

Molecular weight: 82.19

Ref: TR-B690777

2-AMINO-2-METHYL-D3-PROPANE-1,1,1,3,3,3-D6

CAS: 6045-08-5

Formula: C₄H₂D₉N

Color and Shape: Liquid

Molecular weight: 82.1923

Ref: IN-DA00EBW7