1001401-60-0 | Benzyl (5r)-5-methyl-1,4-diazepane-1-carboxylate

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$17.00	$12.00
5g	98%	in stock	$82.00	$58.00

Description

• Catalog Number: AA01188
• Chemical Name: Benzyl (5r)-5-methyl-1,4-diazepane-1-carboxylate
• CAS Number: 1001401-60-0
• Molecular Formula: C14H20N2O2
• Molecular Weight: 248.3208
• MDL Number: MFCD22420241
• SMILES: C[C@H]1NCCN(CC1)C(=O)OCc1ccccc1

Computed Properties

• Complexity: 265
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 1
• Heavy Atom Count: 18
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 3
• XLogP3: 1.8

Upstream Synthesis Route

The (5R)-Hexahydro-5-methyl-1H-1,4-diazepine-1-carboxylic acid phenylmethyl ester, referred to as $name$, is a versatile compound utilized in chemical synthesis processes. This compound plays a crucial role as a chiral building block in the creation of pharmaceuticals, agrochemicals, and materials with specific stereochemical properties. One of the key applications of $name$ in chemical synthesis is its ability to serve as a precursor for the synthesis of enantiopure compounds. By incorporating (5R)-Hexahydro-5-methyl-1H-1,4-diazepine-1-carboxylic acid phenylmethyl ester into synthetic routes, chemists can access molecules with defined chirality, enabling the production of new drugs, advanced materials, and fine chemicals with enhanced biological activities and physical properties.