1030377-32-2

Basic information

• Product Name: (R)-(7-Methyl-1,4-diazepan-1-yl)(5-Methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)Methanone
• Synonyms: (R)-(7-Methyl-1,4-diazepan-1-yl)(5-Methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)Methanone;(7R)-7-Methyl-1-[5-methyl-2-(2H-1,2,3-triazol-2-yl)benzoyl]-1,4-diazepane
• CAS NO: 1030377-32-2
• Molecular Formula: C₁₆H₂₁N₅O
• Molecular Weight: 299.37084
• Mol File: 1030377-32-2.mol
• Article Data: 10

Chemical Properties

• Boiling Point: 522.0±60.0 °C(Predicted)
• Appearance: /
• Density: 1.26±0.1 g/cm3(Predicted)
• PKA: 9.98±0.40(Predicted)
• CAS DataBase Reference: (R)-(7-Methyl-1,4-diazepan-1-yl)(5-Methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)Methanone(CAS DataBase Reference)
• NIST Chemistry Reference: (R)-(7-Methyl-1,4-diazepan-1-yl)(5-Methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)Methanone(1030377-32-2)
• EPA Substance Registry System: (R)-(7-Methyl-1,4-diazepan-1-yl)(5-Methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)Methanone(1030377-32-2)

Safety Data

• Hazardous Substances Data: 1030377-32-2(Hazardous Substances Data)

Usage

Description

(R)-(7-Methyl-1,4-diazepan-1-yl)(5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)methanone is a complex organic compound characterized by the presence of a 1,4-diazepan ring, a 5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl group, and a methanone functional group. Its intricate molecular structure suggests potential pharmacological or medicinal applications, possibly due to its ability to interact with specific biological targets. The combination of diazepan and triazolyl groups may confer neurological or psychoactive properties, while the methanone group could indicate reactivity with other molecular entities. Further investigation is required to elucidate the full scope of its properties and potential uses.

Uses

Used in Pharmaceutical Industry:
(R)-(7-Methyl-1,4-diazepan-1-yl)(5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)methanone is used as a potential active pharmaceutical ingredient for the development of new drugs, leveraging its unique structural features to target specific receptors or enzymes in the nervous system or other biological pathways. Its potential psychoactive properties may be harnessed for the treatment of neurological disorders or mental health conditions.
Used in Chemical Research:
In the field of chemical research, (R)-(7-Methyl-1,4-diazepan-1-yl)(5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)methanone serves as a subject of study for understanding its reactivity, synthesis pathways, and potential interactions with other molecules. This research could lead to the discovery of new chemical reactions or the development of novel compounds with improved properties.
Used in Drug Design and Development:
(R)-(7-Methyl-1,4-diazepan-1-yl)(5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)methanone is utilized in drug design and development as a lead compound for the creation of new therapeutic agents. Its structural elements may be modified or optimized to enhance its pharmacological properties, such as potency, selectivity, and bioavailability, ultimately leading to more effective treatments for various diseases and conditions.

Upstream product

• 1638743-92-6 tert-butyl (R)-7-methyl-1,4-diazepane-1-carboxylate 
• 1030377-25-3 1-benzyl 4-tert-butyl (5R)-5-methyl-1,4-diazepane-1,4-dicarboxylate 
• 1104546-96-4 5-methyl-2-(2Η-1,2,3-triazol-2-yl)benzoyl chloride 
• 52548-14-8 2-iodoyl-5-methylbenzoic acid 
• 956317-36-5 2-(2H-1,2,3-triazol-2-yl)-5-methylbenzoic acid 

Downstream Products

• 1030377-33-3 Suvorexant 
• 1030377-63-9 (5R)-1-[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]-5-methyl-4-[5-methyl-2-(2H-1,2,3-triazol-2-yl)benzoyl]-1,4-diazepane 
• 1030377-65-1 (5R)-1-[4-methoxy-5-(trifluoromethyl)pyrimidin-2-yl]-5-methyl-4-[5-methyl-2-(2H-1,2,3-triazol-2-yl)benzoyl]-1,4-diazepane 
• 1030377-73-1 5,6-dimethyl-2-{(5R)-5-methyl-4-[5-methyl-2-(2H-1,2,3-triazol-2-yl)benzoyl]-1,4-diazepan-1-yl}furo[2,3-d]pyrimidine 
• 1030377-50-4 5-methyl-2-{(5R)-5-methyl-4-[5-methyl-2-(2H-1,2,3-triazol-2-yl)benzoyl]-1,4-diazepan-1-yl}furo[2,3-d]pyrimidine 
• 1030377-70-8 5-methyl-2-{(5R)-5-methyl-4-[5-methyl-2-(2H-1,2,3-triazol-2-yl)benzoyl]-1,4-diazepan-1-yl}thieno[2,3-d]pyrimidine 
• 1030377-75-3 1,3-dimethyl-6-{(5R)-5-methyl-4-[5-methyl-2-(2H-1,2,3-triazol-2-yl)benzoyl]-1,4-diazepan-1-yl}-1H-pyrazolo[3,4-d]pyrimidine 
• 1607479-47-9 C₂₂H₂₅N₉O 
• 1607479-49-1 C₂₃H₂₆N₈O₂ 
• 1607479-51-5 C₂₂H₂₄N₈OS 
• 1607479-53-7 C₂₃H₂₆N₈OS 
• 1234707-18-6 2-{(5R)-5-methyl-4-[5-methyl-2-(2H-1,2,3-triazol-2-yl)benzoyl]-1,4-diazepan-1-yl}quinazoline 
• 1234707-20-0 2-{(5R)-5-methyl-4-[5-methyl-2-(2H-1,2,3-triazol-2-yl)benzoyl]-1,4-diazepan-1-yl}-1,3-benzoxazole 
• 1030377-57-1 (5R)-1-[4-(allyloxy)-5-vinylpyrimidin-2-yl]-5-methyl-4-[5-methyl-2-(2H-1,2,3-triazol-2-yl)benzoyl]-1,4-diazepane 

Relevant articles and documents

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.

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.

Method for preparing Suvorexantintermediate and analogue thereof

The invention discloses a method for preparing a Suvorexantintermediate as shown in a formula 8A and an analogue thereof, or pharmaceutically acceptable salts and solvates thereof, wherein R is hydrogen or an alkyl group of C1 to C6. The method comprises the following steps of removing an amino protection group of a compound as shown in a formula 3 to obtain a compound as shown in a formula 4A; d, adopting the compound as shown in the formula 4A for preparing to obtain a compound as shown in a formula 5A; e, adopting the formula 5A for preparing to obtain a compound as shown in a formula 6A; f, reacting the compound as shown in the formula 6A and a compound as shown in a formula 10A for preparing to obtain a compound as shown in a formula 7A; g, adopting the compound as shown in the formula 7A for preparing to obtain the compound as shown in the formula 8A. According to the method provided by the invention, the compound 8 is synthesized through a brand new process route, and is then adopted as an intermediate for preparing Suvorexant, so that the problems of the usage of toxic substances, high cost, long route and low yield in an existing method for preparing the Suvorexant are effectively solved, and the method is suitable for industrial application.

Preparation method of chiral high piperazine ring compound

The present invention relates to a preparation method of a chiral high piperazine ring compound shown in (R)-I, and the method includes reduction of a compound shown in a formula Int to obtain the compound shown in the formula (R)-I. The invention also relates to a novel intermediate compound shown in the formula Int. The chiral high piperazine ring compound shown in (R)-I is an important intermediate in the synthesis of a medicament Suvorexant for the treatment of sleep disorders. The preparation method introduces a chiral center from the starting material, does not employ reagent or reaction affecting the chiral center in the whole reaction process, and avoids the chiral resolution or chiral catalyst method, which has high cost but low yield; no reaction of chiral participation exists in the process, so as to ensure the purity of the chiral product; and the method uses only the conventional methods and equipment, has the advantages of simple operation, mild condition, short route and high yield, and is applicable to industrialized production.