31865-25-5

Basic information

• Product Name: 6-Oxa-3-azabicyclo[3.1.0]hexane-3-carboxylic acid, phenylMethyl ester
• Synonyms: 6-Oxa-3-azabicyclo[3.1.0]hexane-3-carboxylic acid, phenylMethyl ester;benzyl 6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate
• CAS NO: 31865-25-5
• Molecular Formula: C₁₂H₁₃NO₃
• Molecular Weight: 219.23652
• Mol File: 31865-25-5.mol

Chemical Properties

• Boiling Point: 353.9±42.0 °C(Predicted)
• Appearance: /
• Density: 1.305±0.06 g/cm3(Predicted)
• Storage Temp.: 2-8°C
• PKA: -1.03±0.20(Predicted)
• CAS DataBase Reference: 6-Oxa-3-azabicyclo[3.1.0]hexane-3-carboxylic acid, phenylMethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 6-Oxa-3-azabicyclo[3.1.0]hexane-3-carboxylic acid, phenylMethyl ester(31865-25-5)
• EPA Substance Registry System: 6-Oxa-3-azabicyclo[3.1.0]hexane-3-carboxylic acid, phenylMethyl ester(31865-25-5)

Safety Data

• Hazardous Substances Data: 31865-25-5(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Synthesis:
6-Oxa-3-azabicyclo[3.1.0]hexane-3-carboxylic acid, phenylmethyl ester is used as a precursor in the pharmaceutical industry for the synthesis of various drugs and medicinal compounds. Its unique structure and reactivity make it a valuable component in the development of new pharmaceuticals.
Used in Organic Compound Production:
In the field of organic chemistry, 6-Oxa-3-azabicyclo[3.1.0]hexane-3-carboxylic acid, phenylmethyl ester is used as a building block for the production of various organic compounds. Its versatility allows for the creation of a wide range of chemical products, from specialty chemicals to advanced materials.
Used in Chemical Research:
6-Oxa-3-azabicyclo[3.1.0]hexane-3-carboxylic acid, phenylmethyl ester is also utilized in chemical research as a model compound for studying the properties and reactions of bicyclic compounds. Its unique structure provides insights into the behavior of similar compounds and contributes to the advancement of chemical knowledge.
Used in Chemical Industry:
6-Oxa-3-azabicyclo[3.1.0]hexane-3-carboxylic acid, phenylmethyl ester is employed in the chemical industry for the production of various chemical products. Its wide range of applications and compatibility with organic solvents make it a valuable component in the synthesis of specialty chemicals and materials.
Safety Precautions:
It is important to handle 6-Oxa-3-azabicyclo[3.1.0]hexane-3-carboxylic acid, phenylmethyl ester with care, as it can be toxic if ingested or inhaled, and can cause irritation to the skin and eyes. Proper safety measures, such as wearing protective clothing and using appropriate containment, should be taken to minimize the risk of exposure.

Upstream product

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Downstream Products

• 163439-83-6 (+)-(3R,4R)-1-benzyloxycarbonyl-3,4-dihydroxypyrrolidine 
• 596793-30-5 (3S,4S)-N-benzyloxycarbonyl-3,4-dihydroxy-pyrrolidine 
• 923004-51-7 (3S,4R)-(-)-1-benzyloxycarbonyl-3-azido-4-hydroxypyrrolidine 
• 923004-50-6 1-Cbz-3-azido-4-hydroxypyrrolidine 
• 923004-52-8 1-Cbz-3-azido-4-methoxypyrrolidine 
• 923004-55-1 (3R,4S)-1-cbz-3-azido-4-methoxypyrrolidine 
• 923004-49-3 (3R,4S)-3-Acetoxy-4-azido-pyrrolidine-1-carboxylic acid benzyl ester 
• 923004-53-9 1-Cbz-3-[(tert-butoxycarbonyl)amino]-4-methoxypyrrolidine 
• 923004-56-2 1-Cbz-3-[(tert-butoxycarbonyl)amino]-4-methoxypyrrolidine 
• 923004-57-3 1-Cbz-3-[(tert-butoxycarbonyl)methylamino]-4-methoxypyrrolidine 
• 923004-54-0 1-Cbz-3-[(tert-butoxycarbonyl)methylamino]-4-methoxypyrrolidine 
• 799767-80-9 benzyl (3S,4S)-3-azido-4-methoxypyrrolidine-1-carboxylate 
• 799767-85-4 (3R,4R)-3-Azido-4-methoxy-pyrrolidine-1-carboxylic acid benzyl ester 

Relevant articles and documents

Second basic pKa: An overlooked parameter in predicting phospholipidosis-inducing potential of diamines

In this paper, we present the phospholipidosis-inducing potential (PLIP) of forty fragment-sized diamines derived from N-benzyl-4-(methylamino)piperidine and discuss the relationship between their PLIP and the physicochemical properties. Our results demonstrate that the previously reported methods are not suitable for predicting the PLIP of fragment-sized diamines; the second basic pKa can distinguish PLIP-positive diamines from PLIP-negative diamines more accurately than ClogP or most basic pKa. To the best of our knowledge, this is the first report describing the relationship between PLIP and second basic pKa.

SUBSTITUTED PYRROLIDINE COMPOUND AND USE THEREOF

The present invention provides a substituted pyrrolidine compound having an orexin type 2 receptor agonist activity. A compound represented by the formula (I): wherein each symbol is as described in the specification, or a salt thereof, has an orexin type 2 receptor agonist activity, and is useful as an agent for the prophylaxis or treatment of narcolepsy.

SUBSTITUTED PYRROLIDINE COMPOUND AND USE THEREOF

The present invention provides a substituted pyrrolidine compound having an orexin type 2 receptor agonist activity. A compound represented by the formula (I): wherein each symbol is as described in the specification, or a salt thereof, has an orexin type 2 receptor agonist activity, and is useful as an agent for the prophylaxis or treatment of narcolepsy.

INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND USES THEREOF

The present application relates to compounds of Formula I (I) or pharmaceutically acceptable salts, solvates and/or prodrugs thereof, to compositions comprising these compounds or pharmaceutically acceptable salts, solvates and/or prodrugs thereof, and various uses in the treatment of diseases, disorders or conditions that are treatable by inhibiting interactions with BCL6 BTB, such as cancer.

Enantiospecific Synthesis of (3 R,4 R)-1-Benzyl-4-fluoropyrrolidin-3-amine Utilizing a Burgess-Type Transformation

Manufacture of an EGFR inhibitor required the asymmetric synthesis of a key 3,4-trans-substituted pyrrolidine suitable for pilot-plant scale. The initial synthetic route utilized reagents and intermediates that posed safety concerns due to their energetic potential and then required supercritical fluid chromatography to access the desired single enantiomer. Burgess-type reagents provide tremendous utility in organic synthesis but see limited use on large scales because of their high cost and instability. Nevertheless, extensive process development led to a scale-friendly process where in situ formation of a Boc-Burgess reagent enabled access to a chiral cyclic sulfamate from inexpensive materials. ReactIR monitoring was used to study intermediate stability and enabled processing on a multikilogram scale. The sulfamate was converted to trans-3-fluoro-4-aminopyrrolidine 1 with complete stereospecificity. Intermediate crystallinity offered purity control points where byproducts and impurities were rejected, avoiding the need for chromatography.

Pyrazole derivatives and use thereof

The invention relates to a substituted pyrazole derivative for inhibiting over-expression of protein kinase, and a stereoisomer, a geometrical isomer, a tautomer, an oxynitride, a solvate, a hydrate, a metabolite, an ester, a pharmaceutically acceptable s

As Aurora kinase inhibitor derivatives

The present invention relates to a substituted pyrazole derivative used for inhibiting Aurora kinase and represented by formula (I) or formula (Ia), or stereo isomers, geometric isomers, tautomers, nitrogen oxides, hydrates, solvates, metabolites, esters, pharmaceutically acceptable salts or prodrugs thereof, a medicinal composition containing the above compounds as active ingredients, and a use of the compounds and the medicinal composition in preparation of medicines for protecting, processing, treating or mitigating proliferative diseases of patients.

ANTI-PULMONARY TUBERCULOSIS NITROIMIDAZOLE DERIVATIVE

Disclosed is a substituted nitroimidazole derivative, which is mainly used for treating related diseases caused by mycobacterial infections, such as Mycobacterium tuberculosis, especially being suitable for diseases caused by resistant Mycobacterium tuberculosis.

Design, Synthesis, and Biological Evaluation of Substituted Pyrimidines as Potential Phosphatidylinositol 3-Kinase (PI3K) Inhibitors

Three series of substituted pyrimidines were designed and synthesized. All target compounds were screened for kinase inhibitory activities against PI3Kα, and most IC50 values were found within the nanomolar range. Compounds 5d and 5p displayed