10341-26-1

Basic information

• Product Name: 1,4-Oxazepan-5-one
• Synonyms: 1,4-Oxaxepan-5-one;HoMoMorpholine-5-one;tetrahydro-1,4-Oxazepin-5(2H)-one
• CAS NO: 10341-26-1
• Molecular Formula: C₅H₉NO₂
• Molecular Weight: 115.13
• Mol File: 10341-26-1.mol

Chemical Properties

• Melting Point: 80-82°C
• Boiling Point: 311.1 °C at 760 mmHg
• Flash Point: 142 °C
• Appearance: /
• Density: 1.068 g/cm³
• Vapor Pressure: 0.000574mmHg at 25°C
• Refractive Index: 1.435
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 15.85±0.20(Predicted)
• Sensitive: Hygroscopic
• CAS DataBase Reference: 1,4-Oxazepan-5-one(CAS DataBase Reference)
• NIST Chemistry Reference: 1,4-Oxazepan-5-one(10341-26-1)
• EPA Substance Registry System: 1,4-Oxazepan-5-one(10341-26-1)

Safety Data

• PackingGroup: III
• Hazardous Substances Data: 10341-26-1(Hazardous Substances Data)

Usage

Uses

Used as a pharmaceutical intermediate.

InChI:InChI=1/C5H9NO2/c7-5-1-3-8-4-2-6-5/h1-4H2,(H,6,7)

Upstream product

• 29943-42-8 Tetrahydro-4H-pyran-4-one 
• 61128-73-2 tetrahydropyran-4-one oxime 
• 73920-62-4 2,3-Dihydro-1,4-thiazepin-5(4H)-on 
• 61108-59-6 dihydro-2H-pyran-4(3H)-one O-tosyl oxime 

Downstream Products

• 911494-40-1 C₁₇H₁₆N₂O₆ 
• 1093656-24-6 4-(2-Bromo-4-nitrophenyl)-1,4-oxazepan-5-one 
• 869786-55-0 3-methyl-4-(5-oxo-[1,4]oxazepan-4-yl)-1-nitro-benzene 

Relevant articles and documents

Evaluating the Viability of Successive Ring-Expansions Based on Amino Acid and Hydroxyacid Side-Chain Insertion

The outcome of ring-expansion reactions based on amino/hydroxyacid side-chain insertion is strongly dependent on ring size. This manuscript, which builds upon our previous work on Successive Ring Expansion (SuRE) methods, details efforts to better define the scope and limitations of these reactions on lactam and β-ketoester ring systems with respect to ring size and additional functionality. The synthetic results provide clear guidelines as to which substrate classes are more likely to be successful and are supported by computational results, using a density functional theory (DFT) approach. Calculating the relative Gibbs free energies of the three isomeric species that are formed reversibly during ring expansion enables the viability of new synthetic reactions to be correctly predicted in most cases. The new synthetic and computational results are expected to support the design of new lactam- and β-ketoester-based ring-expansion reactions.

Mild, calcium catalysed Beckmann rearrangements

A mild calcium catalysed Beckmann rearrangement has been realised, which forgoes the more traditional harsh reactions conditions associated with the transformation. The catalyst system is shown to be tolerant towards a wide variety of functional groups relevant to natural product synthesis and medicinal chemistry and the synthetic utility of the reaction has also been investigated. A preliminary mechanistic investigation was performed to understand the nature of the incoming nucleophile and a possible reaction pathway is described.

TYK2 INHIBITORS AND USES THEREOF

The present invention provides compounds, compositions thereof, and methods of using the same for the inhibition of TYK2, and the treatment of TYK2-mediated disorders.

Remodeling and Enhancing Schmidt Reaction Pathways in Hexafluoroisopropanol

The effect of carrying out two variations of the Schmidt reaction with ketone electrophiles in hexafluoroisopropanol (HFIP) solvent has been studied. When TMSN3 is reacted with ketones in the presence of triflic acid (TfOH) promoter, tetrazoles are obtained as the major products. This observation is in contrast to established methods, which usually lead to amides or lactams arising from formal NH insertion as the major products. The full product profiles of several examples of this reaction are also reported and found to include mechanistically interesting products (e.g., double ring expansion). Application of TfOH promoter in HFIP was also found to promote the reaction of a hydroxyalkyl azide with a ketone, which affords lactams following nucleophilic opening of initially formed iminium ether more efficiently than previously reported methods. (Chemical Equation Presented).

NOVEL TRIAZINE COMPOUNDS

The present invention relates to novel triazine compounds of formula (1), methods of their preparation, pharmaceutical compositions containing these compounds and the use of these compounds to treat proliferative disorders such as tumors and cancers and also other conditions and disorders related to or associated with dysregulation of PI3 Kinases, PI3 Kinase pathway, mTOR and/ or the mTOR pathway.

An efficient catalytic method for the Beckmann rearrangement of ketoximes to amides and aldoximes to nitriles mediated by propylphosphonic anhydride (T3P)

An efficient method for the Beckmann rearrangement of ketoximes to amides mediated by a catalytic amount (15 mol %) of propylphosphonic anhydride (T3P) is described. Aldoximes underwent second order Beckmann rearrangement to provide the corresponding nitriles in excellent yields on reacting with T3P (15 mol %) at room temperature. The main advantages of this environmentally friendly protocol include procedural simplicity, and particularly ease of isolation of the products.

FIVE-MEMBERED HETEROCYCLIC DERIVATIVE

The present invention relates to a compound represented by formula (I): a salt of the compound, or a solvate of the compound or the salt; a drug containing any of the compounds, the salts, and the solvates; a preventive and/or therapeutic agent for an ischemic disease containing any of the compounds, the salts, and the solvates; and a platelet coagulation inhibitor containing any of the compounds, the salts, and the solvates. The compound of the present invention is useful as a strong platelet coagulation inhibitor without inhibiting COX-1 or COX-2.

Synthesis of analogs of (1,4)-3- and 5-imino oxazepane, thiazepane, and diazepane as inhibitors of nitric oxide synthases

The preparation and SAR of a series of iNOS inhibitors leading to the most potent compound, incorporating a (1,4)-5-imino thiazepane (R = n-Pr) is disclosed. A series of 3- and 5-imino analogs from oxazepane, thiazepane, and diazepane was prepared and eva

Hexahydro-5-imino-1,4-1,4-thiazepine derivatives as inhibitors of nitric oxide synthases

Disclosed herein are compounds of Formula I and pharmaceutically acceptable salts thereof which have been found useful in the treatment of nitric oxide synthase mediated diseases and disorders, including neurodegenerative disorders, disorders of gastrointestinal motility and inflammation. These diseases and disorders include hypotension, septic shock, toxic shock syndrome, hemodialysis, IL-2 therapy such as in in cancer patients, cachexia, immunosuppression such as in transplant therapy, autoimmune and/or inflammatory indications including sunburn, eczema or psoriasis and respiratory conditions such as bronchitis, asthma, oxidant-induced lung injury and acute respiratory distress (ARDS), glomerulonephritis, restenosis, inflammatory sequelae of viral infections, myocarditis, heart failure, atherosclerosis, osteoarthritis, rheumatoid arthritis, septic arthritis, chronic or inflammatory bowel disease, ulcerative colitis, Crohn's disease, systemic lupus erythematosis (SLE), ocular conditions such as ocular hypertension, retinitis and uveitis, type 1 diabetes, insulin-dependent diabetes mellitus and cystic fibrosis.