4-{4-[(5S)-5-(Aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}-3-morpholinone

Basic Information

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CAS Number

446292-10-0

Molecular Formula

C14H17N3O4

Molecular Weight

291.31 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Powder

Boiling Point

580.4°C at 760 mmHg

SMILES

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C1COCC(=O)N1C2=CC=C(C=C2)N3CC(OC3=O)CN

InChI

InChI=1S/C14H17N3O4/c15-7-12-8-17(14(19)21-12)11-3-1-10(2-4-11)16-5-6-20-9-13(16)18/h1-4,12H,5-9,15H2/t12-/m0/s1

InChIKey

DEXXSYVEWAYIGZ-LBPRGKRZSA-N

LogP

0.33369999999999966

Topological Polar Surface Area

85.1 Å²

Hydrogen Bond Donor/Acceptor

2 / 7

Complexity

409

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

(S)-4-[4-(5-aminomethyl-2-oxo-oxazolidine-3-yl)phenyl]morpholin-3-one
4-[4-[(5S)-5-(Aminomethyl)-2-oxo-3-oxazolidinyl]phenyl]-3-morpholinone
Rivaroxaban aminomethyl impurity
4-(4-((5S)-5-(Aminomethyl)-2-oxo-3-oxazolidinyl)phenyl)-3-morpholinone
MFCD11977666
EN300-269330
CS-M0391
US8822458, 151
(S)-4-(4-(5-(aminomethyl)-2-oxo-oxazolidin-3-yl)phenyl)morpholin-3-one
(S)-4-(4-(5-(Aminomethyl)-2-oxooxazolidin-3-yl)phenyl)morph olin-3-one
Des(5-chloro-2-carboxythienyl) Rivaroxaban
SCHEMBL87178
3-Morpholinone, 4-[4-[(5S)-5-(aminomethyl)-2-oxo-3-oxazolidinyl]phenyl]-
DTXSID40463130
4-{4-[(5S)-5-(Aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}morpholin-3-one
BDBM7941
JZ8PKP6CTZ
CHEMBL3671238
UNII-JZ8PKP6CTZ
4-{4-[(5S)-5-aminomethyl-2-oxo-1,3-oxazolidine-3-yl]-phenyl}-morpholine-3-one
DEXXSYVEWAYIGZ-LBPRGKRZSA-N
4-{4-[(5S)-5-(amino methyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}morpholin-3-one
AKOS015999579
DS-14628
4-{4-[(5S)-5-(Aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}-3-morpholinone
4-[4-((S)-5-aminomethyl-2-oxooxazolidin-3-yl)phenyl]morpholin-3-one
A846748
4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholine-3-one
Rivaroxaban metabolite M15
4-{4-[5(S)-(amino methyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}morpholin-3-one
446292-10-0

MDL Number

MFCD11977666

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 4-{4-[(5S)-5-(Aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}-3-morpholinone (CAS: 446292-10-0)?

4-{4-[(5S)-5-(Aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}-3-morpholinone (CAS: 446292-10-0) is a crystalline solid with a molecular weight of approximately 418.46 g/mol. It has a solubility in water of about 0.1 g/L. This compound exhibits moderate reactivity, particularly towards nucleophiles. It is stable under normal laboratory conditions but should be handled with care to avoid degradation. Its reactivity is influenced by its functional groups, specifically the amino and oxazolidinone moieties, which can participate in various chemical reactions.

How is 4-{4-[(5S)-5-(Aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}-3-morpholinone (CAS: 446292-10-0) typically synthesized?

4-{4-[(5S)-5-(Aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}-3-morpholinone (CAS: 446292-10-0) is typically synthesized via a multi-step process involving the condensation of an oxazolidinone derivative with a morpholinone. The key steps include the formation of the oxazolidinone ring through a nucleophilic substitution reaction and the subsequent coupling with the morpholinone. The overall yield is around 70-80%, with high selectivity for the desired product.

What industries use 4-{4-[(5S)-5-(Aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}-3-morpholinone (CAS: 446292-10-0)?

4-{4-[(5S)-5-(Aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}-3-morpholinone (CAS: 446292-10-0) finds applications in pharmaceuticals, where it serves as a precursor for drug development, and in polymers, where it can act as a functional monomer. It is also used in the development of sensors and in the synthesis of semiconductors due to its unique chemical properties and reactivity.

What precautions should be taken when handling 4-{4-[(5S)-5-(Aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}-3-morpholinone (CAS: 446292-10-0)?

When handling 4-{4-[(5S)-5-(Aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}-3-morpholinone (CAS: 446292-10-0), proper personal protective equipment (PPE) is essential, including gloves, safety glasses, and a lab coat. This compound should be stored in a fume hood to minimize exposure and inhalation risks. In case of a spill, it should be immediately contained and cleaned up using appropriate materials. Always refer to the Safety Data Sheet (SDS) for detailed information on handling and emergency procedures.

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4-{4-[(5S)-5-(Aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}-3-morpholinone | CAS No. 446292-10-0

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Physical State

Boiling Point

Chemical Properties

SMILES

InChI

InChIKey

LogP

Topological Polar Surface Area

Hydrogen Bond Donor/Acceptor

Complexity

Safety Information

Hazard Statement

Synonyms & References

English

MDL Number

Customs Code

FAQ

What are the physical and chemical properties of 4-{4-[(5S)-5-(Aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}-3-morpholinone (CAS: 446292-10-0)?

How is 4-{4-[(5S)-5-(Aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}-3-morpholinone (CAS: 446292-10-0) typically synthesized?

What industries use 4-{4-[(5S)-5-(Aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}-3-morpholinone (CAS: 446292-10-0)?

What precautions should be taken when handling 4-{4-[(5S)-5-(Aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}-3-morpholinone (CAS: 446292-10-0)?

Related Compounds

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