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6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide

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Identification
Molecular formula
C12H13NO2S
CAS number
40487-42-1
IUPAC name
6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide
State
State

At room temperature, this compound is a solid, maintaining stability under standard conditions. However, it may decompose upon prolonged exposure to air or moisture, indicating the need for proper storage.

Melting point (Celsius)
135.30
Melting point (Kelvin)
408.45
Boiling point (Celsius)
305.20
Boiling point (Kelvin)
578.35
General information
Molecular weight
249.32g/mol
Molar mass
249.3180g/mol
Density
1.2845g/cm3
Appearence

This compound appears as a white to off-white crystalline solid. The solid is typically organized into distinctly shaped crystals, contributing to its unique reflective properties observed under a light microscope.

Comment on solubility

Solubility of 6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide

The solubility of 6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide can be impacted by several factors, including its molecular structure and the presence of functional groups. Here are some key points to consider:

  • Polarity: The presence of the carboxamide group typically enhances solubility in polar solvents such as water, due to hydrogen bonding interactions.
  • Aromaticity: The phenyl group contributes to the non-polar characteristics, which may affect solubility in non-polar solvents.
  • Solvent Effect: This compound may show varying solubility in different solvents, thus might be soluble in organic solvents like ethanol or acetone, while having limited solubility in water.

In general, when assessing the solubility, one might note:

  1. The structured complexity can lead to unique solvation phenomena.
  2. Experimental solubility data is essential for precise applications.
  3. Temperature can also play a crucial role in solubility, possibly enhancing it at elevated temperatures.

As with many compounds, an understanding of both intrinsic and extrinsic factors is vital in predicting solubility behavior effectively.

Interesting facts

Interesting Facts about 6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide

The compound 6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide is a fascinating member of the class of oxathiine derivatives, which contains both sulfur and nitrogen in its structure. This unique combination leads to varied chemical properties and potential applications across multiple fields.

Chemical Structure and Properties

The structure of this compound features:

  • Oxathiine Ring: The five-membered ring containing sulfur and oxygen is critical for the compound's reactivity.
  • Substituent Groups: The presence of a methyl group and a phenyl group greatly influences its chemical behavior, affecting properties such as polarity and stability.

Biological and Pharmaceutical Significance

Compounds like 6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide are often studied for their potential biological activity. Consider the following:

  • Many oxathiine derivatives exhibit antimicrobial properties, which could lead to new drug development.
  • Research indicates that the structural features can influence their antiviral and anticancer activities.
  • Such compounds may also serve as enzyme inhibitors in various biochemical pathways.

Applications in Research

This compound can be valuable in various research domains, including:

  • Medicinal Chemistry: As a potential lead compound for synthesizing new pharmaceuticals.
  • Organic Synthesis: In the development of new synthetic methodologies that emphasize the importance of heterocyclic compounds.

As researchers continue to explore the functionalities of such compounds, the insights gained may pave the way for innovative solutions in medicine and chemistry at large. Understanding compounds like 6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide expands the toolkit available for scientists in discovering novel compounds and reactions.

Synonyms
CARBOXIN
5234-68-4
Carbathiin
Carboxine
Vitavax
2-Methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Oxatin
DCMO
Kisvax
Vitavax 75W
DMOC
Vitavax 100
Vitavax 735D
Kemikar
Vitaflo 250
5,6-Dihydro-2-methyl-N-phenyl-1,4-oxathiin-3-carboxamide
1,4-Oxathiin-3-carboxamide, 5,6-dihydro-2-methyl-N-phenyl-
V 4X
D 735
Flo pro v seed protectant
2,3-Dihydro-5-carboxanilido-6-methyl-1,4-oxathiin
F 735
2,3-Dihydro-6-methyl-1,4-oxathiin-5-carboxanilide
5,6-Dihydro-2-methyl-1,4-oxathiin-3-carboxanilide
5-Carboxanilido-2,3-dihydro-6-methyl-1,4-oxathiin
2,3-Dihydro-6-methyl-5-phenylcarbamoyl-1,4-oxathiin
NSC 263492
6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide
5,6-Dihydro-2-methyl-3-carboxanilido-1,4-oxathiin
1,4-Oxathiin, 2,3-dihydro-5-carboxanilido-6-methyl-
1,4-Oxathiin-3-carboxanilide, 5,6-dihydro-2-methyl-
5A8K850HDE
CHEBI:3405
DTXSID0023951
MFCD00055403
NSC-263492
Cerevax
Enhance
Murganic
Vitaflow
Cerevax Extra
Enhance Plus
Germate Plus
RTV Vitavax
Pro-Gro
Dual Murganic RPB
Vitavax 34
DTXCID003951
Vitavax 30-C
Vitavax-200
Vitavax-300
Vitavax-Thiram-Lindane
Carbathiine
Caswell No. 165A
Mist-O-Matic Murganic
Fenoxan
Karboxyn
Carboxine [ISO-French]
DMOC (VAN)
Carboxin [ANSI:BSI:ISO]
Carboxin [ISO]
CAS-5234-68-4
CCRIS 5217
D735
Vitavax EC 200
HSDB 1532
D-735
EINECS 226-031-1
EPA Pesticide Chemical Code 090201
BRN 0983249
UNII-5A8K850HDE
Carboxine Form II
2,4-oxathiin
Carboxin (Standard)
5,6-Dihydro-2-methyl-3-carboxanilido-1,4-oxathiin [German]
CARBOXIN [HSDB]
CARBOXIN [MI]
Cambridge id 5373048
TimTec1_001678
SCHEMBL18392
5-19-07-00251 (Beilstein Handbook Reference)
MLS000059188
2,4-oxathiin-5-carboxanilide
5,4-oxathiin-3-carboxanilide
5-Carboxanilido-2,4-oxathiin
1, 5,6-dihydro-2-methyl-
CHEMBL1231667
HY-B2064R
Carbathiin;Vitavax;Kisvax;Carboxin
HMS1538M06
HMS2231N20
HMS3370C04
HMS3604G19
DNDI1724944
HY-B2064
WLN: T6O DS BUTJ B1 CVMR
Tox21_201988
Tox21_300706
NSC263492
NSC816198
s4805
STK838152
AKOS000545990
1, 5,6-dihydro-2-methyl-N-phenyl-
CCG-236658
CS-W019702
DB04657
FS-3015
NSC-816198
SDCCGMLS-0037038.P002
NCGC00053919-02
NCGC00053919-03
NCGC00053919-04
NCGC00053919-05
NCGC00053919-06
NCGC00254614-01
NCGC00259537-01
AC-12556
FM140208
SMR000069560
SY107361
DB-052115
1, 2,3-dihydro-5-carboxanilido-6-methyl-
C3482
NS00002769
Carboxine, PESTANAL(R), analytical standard
EN300-268481
O10837
AB00083271-01
AB00083271-08
A829041
A934631
SR-01000388704
:2,3-dihydro-5-carboxanilido-6-methyl-4-oxathiin
Q2937968
SR-01000388704-1
BRD-K17610834-001-01-2
N-Phenyl-2-methyl-5,6-dihydrooxathiin-3-carboxamide
6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiin-5-carboxamide
2-Methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide #
5,6-DIHYDRO-2-METHYL-1,4-OXATHIIN-3-CARBOXANILID; CARBOXIN; CBX