4277-63-8 Usage
Description
METHYL PYRROLE-1-CARBOXYLATE, also known as Methyl 1-pyrrolecarboxylate (M1PC), is an alkyl pyrrolecarboxylate with a clear colorless to very slightly yellow liquid appearance. It has been evaluated for its standard enthalpy of formation through calorimetric and computational determinations. Its reaction with pyrrole Grignard reagent and pyrrole-d4 Grignard reagent has been reported, making it a versatile compound in chemical synthesis.
Uses
Used in Chemical Synthesis:
METHYL PYRROLE-1-CARBOXYLATE is used as a key intermediate in the chemical synthesis of various compounds, particularly due to its reactivity with Grignard reagents. This allows for the creation of a wide range of products, making it a valuable component in the chemical industry.
Used in Pharmaceutical Applications:
Although not explicitly mentioned in the provided materials, METHYL PYRROLE-1-CARBOXYLATE, given its role in chemical synthesis, could potentially be used in the development of pharmaceutical compounds. Its ability to react with Grignard reagents may facilitate the synthesis of novel drug candidates with potential therapeutic applications.
Used in Research and Development:
METHYL PYRROLE-1-CARBOXYLATE can be utilized in research and development settings to explore new chemical reactions and synthesize innovative compounds. Its properties and reactivity make it a promising candidate for further study and potential applications in various fields.
Check Digit Verification of cas no
The CAS Registry Mumber 4277-63-8 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 4,2,7 and 7 respectively; the second part has 2 digits, 6 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 4277-63:
(6*4)+(5*2)+(4*7)+(3*7)+(2*6)+(1*3)=98
98 % 10 = 8
So 4277-63-8 is a valid CAS Registry Number.
InChI:InChI=1/C6H7NO2/c1-9-6(8)7-4-2-3-5-7/h2-5H,1H3
4277-63-8Relevant articles and documents
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Acheson,Vernon
, p. 457,458 (1961)
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Changes in Regioselectivity of H Atom Abstraction during the Hydroxylation and Cyclization Reactions Catalyzed by Hyoscyamine 6β-Hydroxylase
Ushimaru, Richiro,Ruszczycky, Mark W.,Liu, Hung-Wen
supporting information, p. 1062 - 1066 (2019/01/23)
Hyoscyamine 6β-hydroxylase (H6H) is an αKG-dependent nonheme iron oxidase that catalyzes the oxidation of hyoscyamine to scopolamine via two separate reactions: hydroxylation followed by oxidative cyclization. Both of these reactions are expected to involve H atom abstraction from each of two adjacent carbon centers (C6 vs C7) in the substrate. During hydroxylation, there is a roughly 85:1 preference for H atom abstraction from C6 versus C7; however, this inverts to a 1:16 preference during cyclization. Furthermore, 18O incorporation experiments in the presence of deuterated substrate are consistent with the catalytic iron(IV)-oxo complex being able to support the coordination of an additional ligand during hydroxylation. These observations suggest that subtle differences in the substrate binding configuration can have significant consequences for the catalytic cycle of H6H.
Green N-methylation of electron deficient pyrroles with dimethylcarbonate
Laurila, Michael L.,Magnus, Nicholas A.,Staszak, Michael A.
experimental part, p. 1199 - 1201 (2010/04/22)
The N-methylation of electron-deficient pyrroles was affected using dimethyl carbonate in the presence of DMF and catalytic DABCO. This alkylation methodology has proven useful for the alkylation of a variety of pyrroles in 72-98% yields and is considered to be green chemistry relative to the more common use of methyl halides or dimethyl sulfate.