4-formylmorpholine - ≥99% , CAS No.4394-85-8

CAS: 4394-85-8 Cat. No.: F111002 Formula: C₅H₉NO₂ Molecular Weight: 115.13 Beilstein Registry Number: 110293 EC Number: 224-518-3

GRADE & PURITY ≥99%

Synonyms

D1E63XO4RH | DTXCID5024427 | UNII-D1E63XO4RH | FORMYL MORPHOLINE [INCI] | F0157 | MFCD00006170 | N-Formylmorpholine-13C | 4-Morpholinecarbaldehyde N-Formylmorpholine | Molsidomine Imp. D (EP); Molsidomine Impurity D | N-formyhnorpholine | s12160 | SY00478

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Treatment of 4-formylmorpholine with sulphur tetrafluoride in the presence of potassium fluoride gives 4-(trifluoromethyl)morpholine in excellent yields. 4-Formylmorpholine reacts with series of 2-alkyl-2-cyclohexen-1-ones in the presence of POCl3 to give the corresponding 3-alkyl-2-chloro-5,6-dihydrobenzaldehydes and allylic alcohols (by-product).
4-Formylmorpholine has been used in the preparation of: ? adenine hydrochloride labelled with 14C ? terphenyl dialdehyde

Specifications

Synonyms

D1E63XO4RH | DTXCID5024427 | UNII-D1E63XO4RH | FORMYL MORPHOLINE [INCI] | F0157 | MFCD00006170 | N-Formylmorpholine-13C | 4-Morpholinecarbaldehyde N-Formylmorpholine | Molsidomine Imp. D (EP); Molsidomine Impurity D | N-formyhnorpholine | s12160 | SY00478

Specifications & Purity

≥99%

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%

Names and Identifiers

Pubchem Sid

504752979

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752979

Canonical Smiles

C1COCCN1C=O

IUPAC Name

morpholine-4-carbaldehyde

InChIKey

LCEDQNDDFOCWGG-UHFFFAOYSA-N

INCHI

1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2

Isomeric SMILES

C1COCCN1C=O

WGK Germany

3

RTECS

QD9694000

Molecular Weight

115.13

Beilstein

110293

Reaxy-Rn

110293

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=110293&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Oxazinanes
      • Subclass Morpholines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Morpholines
• Alternative Parents: Tertiary carboxylic acid amides Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Morpholine - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Carbonyl group - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as morpholines. These are organic compounds containing a morpholine moiety, which consists of a six-member aliphatic saturated ring with the formula C4H9NO, where the oxygen and nitrogen atoms lie at positions 1 and 4, respectively.
• External Descriptors: morpholines

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Miscible with water.
• Sensitivity: Moisture & heat sensitive
• x_refractive_index: 1.485
• x_flash_point_drop_fahrenheit: 257 °F
• x_flash_point_drop_centigrade: 125 °C
• x_boil_point_char: 236-237°C
• x_melt_point_char: 22-24 °C
• Molecular Weight: 115.130 g/mol
• XLogP3: -0.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 115.063 Da
• Monoisotopic Mass: 115.063 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 78.500
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 4394-85-8, the molecular formula is C5H9NO2, and the molecular weight is 115.13 g/mol. InChIKey LCEDQNDDFOCWGG-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.