4-(Oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline

Basic Information

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CAS Number

5026-74-4

Molecular Formula

C15H19NO4

Molecular Weight

277.32 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Boiling Point

420.18°C (rough estimate)

Flash Point

113 ºC

Refractive Index

n20/D 1.567(lit.)

SMILES

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C1C(O1)CN(CC2CO2)C3=CC=C(C=C3)OCC4CO4

InChI

InChI=1S/C15H19NO4/c1-3-12(17-9-15-10-20-15)4-2-11(1)16(5-13-7-18-13)6-14-8-19-14/h1-4,13-15H,5-10H2

InChIKey

AHIPJALLQVEEQF-UHFFFAOYSA-N

LogP

1.0681999999999994

Topological Polar Surface Area

50.06 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

318

Safety Information

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GHS Hazard Pictograms

H315

H317

H319

H335

H351

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H317 May cause an allergic skin reaction
Sensitization, Skin

H319 Causes serious eye irritation
Serious eye damage/eye irritation

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

H351 Suspected of causing cancer
Carcinogenicity

Synonyms & References

English

2-Oxiranemethanamine, N-[4-(2-oxiranylmethoxy)phenyl]-N-(2-oxiranylmethyl)-
NCGC00256843-01
CS-W012306
4-(2-Oxiranylmethoxy)-N,N-bis(2-oxiranylmethyl)aniline #
Aniline, p-(2,3-epoxypropoxy)-N,N-bis(2,3-epoxypropyl)-
Oxiranemethanamine, N-(4-(oxiranylmethoxy)phenyl)-N-(oxiranylmethyl)-
N,N,O-Tris(2,3-epoxypropyl)-p-aminophenol
A828044
N,N-Diglycidyl-4-glycidyloxyaniline, 90%
2-Oxiranemethanamine, N-(4-(2-oxiranylmethoxy)phenyl)-N-(2-oxiranylmethyl)-
SCHEMBL27630
4-glycidyloxy-n,n-diglycidylaniline
p-(2,3-Epoxypropoxy)-N,N-bis(2,3-epoxypropyl)aniline
UNII-FK8Z40U76H
TK 12759
AMINOPHENYL TRIGLYCIDYL ETHER, P-
p-Glycidoxy-N,N-diglycidylaniline
E75689
FK8Z40U76H
NS00008652
FT-0742768
DTXSID8027585
DTXCID107585
5026-74-4
n,n,o-triglycidyl-p-aminophenol
ERL 0500
CAS-5026-74-4
Aniline, p-(2,3-epoxypropoxy)-N,N-bis(2,3-epoxypropyl)
Oxiranemethanamine, N-[4-(oxiranylmethoxy)phenyl]-N-(oxiranylmethyl)-
p-Aminophenol triglycidyl ether
CHEMBL3185547

MDL Number

MFCD00192036

Customs Code

2922199090

FAQ

What are the physical and chemical properties of 4-(Oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline (CAS: 5026-74-4)?

4-(Oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline is a colorless or light yellow crystalline solid with a molecular weight of approximately 328.36 g/mol. It is soluble in organic solvents like methanol and acetone. This compound exhibits reactive behavior, particularly towards nucleophiles and electrophiles, making it suitable for various chemical transformations. It is stable under normal storage conditions but requires careful handling to avoid unintended reactions.

How is 4-(Oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline (CAS: 5026-74-4) typically synthesized?

4-(Oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline can be synthesized via the reaction of diphenylamine with oxiran-2-ylmethyl chloride in the presence of a base such as triethylamine. The reaction typically yields a product with a purity of over 90%. This process involves the formation of a new amide bond and the introduction of an oxirane group, which are key steps in the synthesis.

What industries use 4-(Oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline (CAS: 5026-74-4)?

4-(Oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline is used in the pharmaceutical industry for the synthesis of certain drugs and intermediates. It is also utilized in the polymer industry to improve the mechanical properties of polymers. Additionally, it finds applications in the development of sensors and semiconductors due to its unique reactivity and structure.

What precautions should be taken when handling 4-(Oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline (CAS: 5026-74-4)?

When handling 4-(Oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood. Spills should be cleaned up immediately using absorbent materials and the area should be flushed with water. Always refer to the Safety Data Sheet (SDS) for specific handling and disposal instructions.