1030377-25-3

Basic information

• Product Name: 1-Benzyl 4-(2-methyl-2-propanyl) (5R)-5-methyl-1,4-diazepane-1,4-dicarboxylate
• Synonyms: (R)-benzyl 5-Methyl-1,4-diazepane-1-carboxylate hydrochloride;1-benzyl 4-tert-butyl (5R)-5-methyl-1,4-diazepane-1,4-dicarboxylate;1-Benzyl 4-(2-methyl-2-propanyl) 5-methyl-1,4-diazepane-1,4-dicarboxylate;1H-1,4-Diazepine-1,4(5H)-dicarboxylic acid, tetrahydro-5-methyl-, 4-(1,1-dimethylethyl) 1-(phenylmethyl) ester, (5R)-（WS205135）;1-Benzyl 4-(2-methyl-2-propanyl) (5R)-5-methyl-1,4-diazepane-1,4-dicarboxylate
• CAS NO: 1030377-25-3
• Molecular Formula: C₁₉H₂₈N₂O₄
• Molecular Weight: 348.44
• Mol File: 1030377-25-3.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 452.9±38.0 °C(Predicted)
• Appearance: /
• Density: 1.117±0.06 g/cm3(Predicted)
• PKA: -1.33±0.40(Predicted)
• CAS DataBase Reference: 1-Benzyl 4-(2-methyl-2-propanyl) (5R)-5-methyl-1,4-diazepane-1,4-dicarboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Benzyl 4-(2-methyl-2-propanyl) (5R)-5-methyl-1,4-diazepane-1,4-dicarboxylate(1030377-25-3)
• EPA Substance Registry System: 1-Benzyl 4-(2-methyl-2-propanyl) (5R)-5-methyl-1,4-diazepane-1,4-dicarboxylate(1030377-25-3)

Safety Data

• Hazardous Substances Data: 1030377-25-3(Hazardous Substances Data)

Usage

General Description

1-Benzyl 4-(2-methyl-2-propanyl) (5R)-5-methyl-1,4-diazepane-1,4-dicarboxylate is a complex chemical compound. Its molecular properties have yet to be thoroughly researched, indicating that its exact composition, behavior, and potential applications are not concretely determined. As classified by IUPAC, it contains diazepane as its core chemical structure, which characterizes a seven-membered ring containing two nitrogen atoms. These diazepane-related structures are prevalent in many medicinal chemistry studies due to their potential applications in drug development. Also, in this compound, 5R represents a specific arrangement of atoms, suggesting that it is chiral—a property that is significant in many pharmaceuticals. The benzyl and methyl groups in the compound can influence its reactivity and polarity. Nonetheless, more investigation is necessary to ascertain the specific characteristics and potential uses of this particular chemical compound.

Upstream product

• 1638743-92-6 tert-butyl (R)-7-methyl-1,4-diazepane-1-carboxylate 
• 501-53-1 benzyl chloroformate 
• 1030377-24-2 1-benzyl 4-tert-butyl 5-methyl-1,4-diazepane-1,4-dicarboxylate 

Downstream Products

• 1030377-33-3 Suvorexant 
• 1030377-28-6 benzyl (5R)-5-methyl-4-[2-(2H-1,2,3-triazol-2-yl)benzoyl]-1,4-diazepane-1-carboxylate 
• 1030377-31-1 benzyl (5R)-5-methyl-4-[5-methyl-2-(2H-1,2,3-triazol-2-yl)-benzoyl]-1,4-diazepane-1-carboxylate 

Relevant articles and documents

A facile electrochemical synthesis of suvorexant

A facile, scalable electrochemical method to prepare Suvorexant has been developed. Two different electrochemical routes explored. The route with the high yield and less step taken forward.

Substituted diazepan orexin receptor antagonists

The present invention is directed to substituted diazepan compounds which are antagonists of orexin receptors, and which are useful in the treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which orexin receptors are involved.