1620097-06-4

Basic information

• Product Name: Suvorexant intermediate
• Synonyms: (R)-1-benzyl-5-methyl-1,4-diazepane;(5R)-Hexahydro-5-methyl-1-(phenylmethyl)-1H-1,4-diazepine;(5R)-1-benzyl-5-methyl-1,4-diazepane;Suvorexant intermediate (5R)-Hexahydro-5-methyl-1-(phenylmethyl)-1H-1,4-diazepine
• CAS NO: 1620097-06-4
• Molecular Formula: C13H20N2
• Molecular Weight: 204.3113
• Mol File: 1620097-06-4.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 296.1±28.0 °C(Predicted)
• Appearance: /
• Density: 0.974±0.06 g/cm3(Predicted)
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• PKA: 10.65±0.40(Predicted)
• CAS DataBase Reference: Suvorexant intermediate(CAS DataBase Reference)
• NIST Chemistry Reference: Suvorexant intermediate(1620097-06-4)
• EPA Substance Registry System: Suvorexant intermediate(1620097-06-4)

Safety Data

• Hazardous Substances Data: 1620097-06-4(Hazardous Substances Data)

Usage

General Description

Suvorexant intermediate is a key chemical used in the synthesis of the medication Suvorexant, which is a type of orexin receptor antagonist used to treat insomnia. The intermediate is an important building block in the manufacturing process of Suvorexant, as it helps to create the final active pharmaceutical ingredient. This chemical is a crucial component in the production of Suvorexant, as it plays a role in the formation of the drug's molecular structure and biological activity. Its use in the pharmaceutical industry highlights its significance in the creation of medications that target specific physiological pathways to address medical conditions.

Upstream product

• 17136-36-6 N-benzylglycine 
• 53386-64-4 methyl 2-(benzylamino)acetate 
• 174799-52-1 tert-butyl {2-[benzylamino]ethyl}carbamate 
• 100-52-7 benzaldehyde 
• 150651-53-9 4-butan-2-one 
• 150651-47-1 N-(2-azidoethyl)-N-benzylamine 
• 150651-57-3 1-Benzyl-2,3,6,7-tetrahydro-5-methyl-1H-1,4-diazepine 

Downstream Products

• 1030377-32-2 1-(7(R)-methyl-1,4-diazepan-1-yl)-1-[5-methyl-2-(2H-1,2,3-triazole-2-yl)phenyl]methanone 
• 1030377-33-3 Suvorexant 
• 1620097-07-5 (R)-(4-benzyl-7-methyl-1,4-diazepan-1-yl)(5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)methanone 
• 1638743-92-6 tert-butyl (R)-7-methyl-1,4-diazepane-1-carboxylate 

Relevant articles and documents

Biocatalytic Access to 1,4-Diazepanes via Imine Reductase-Catalyzed Intramolecular Asymmetric Reductive Amination

An enzymatic intramolecular asymmetric reductive amination has been developed for the synthesis of chiral 1,4-diazepanes. Several enantiocomplementary IREDs were identified for the synthesis of (R)-and (S)-5-chloro-2-(5-methyl-1,4-diazepan-1-yl)benzo[d]ox

Used for preparing suvorexant compound and method for preparing same

The invention relates to three novel compound formulas I, II and III for preparing suvorexant, stereoisomers or salt thereof and a preparation method of the formulas I, II and III. The invention also relates to a method for preparing the suvorexant. The preparation method disclosed by the invention can be used for synthesizing to obtain the chiral compounds I, II and III through a chiral initiator and use the chiral compounds I, II and III for the synthesis of the suvorexant and has the advantages of easiness for operation, moderation in reaction condition, easiness for post processing, easiness for purification, high yield, high ee value and easiness for industrialization.

Facile synthesis of suvorexant, an orexin receptor antagonist, via a chiral diazepane intermediate

A facile synthesis of suvorexant, an orexin receptor antagonist, is described. The key intermediate 6 was prepared from R-3-aminobutyric acid through protection, condensation, deprotection, cyclization, and hydrogenation steps. The title product was obtained with a total yield of 31% (>99% ee) after eight linear steps using commercially available raw materials.