3-{[3-(1-Aziridinyl)propanoyl]oxy}-2-({[3-(1-aziridinyl)propanoyl]oxy}methyl)-2-(hydroxymethyl)propyl 3-(1-aziridinyl)propanoate

Basic Information

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CAS Number

57116-45-7

Molecular Formula

C20H33N3O7

Molecular Weight

427.5 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Boiling Point

542.3°C at 760 mmHg

Density

1.158

Flash Point

113 °C

Refractive Index

1.496

SMILES

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C1CN1CCC(=O)OCC(CO)(COC(=O)CCN2CC2)COC(=O)CCN3CC3

InChI

InChI=1S/C20H33N3O7/c24-13-20(14-28-17(25)1-4-21-7-8-21,15-29-18(26)2-5-22-9-10-22)16-30-19(27)3-6-23-11-12-23/h24H,1-16H2

InChIKey

KAPCRJOPWXUMSQ-UHFFFAOYSA-N

LogP

-1.288199999999994

Topological Polar Surface Area

108.16000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 10

Complexity

524

Safety Information

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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

Synonyms & References

English

CHEMBL3186276
SCHEMBL166977
1-Aziridinepropanoic acid, 1,1'-(2-((3-(1-aziridinyl)-1-oxopropoxy)methyl)-2-(hydroxymethyl)-1,3-propanediyl) ester
DTXCID4024696
2-((3-(aziridin-1-yl)propanoyloxy)methyl)-2-(hydroxymethyl)propane-1,3-diyl bis(3-(aziridin-1-yl)propanoate)
AKOS015918272
57116-45-7
Tox21_302250
DTXSID6044696
EINECS 260-568-2
Pentaerythritol tris[3-(1-aziridinyl)propionate]
CS-W000234
BCP18152
[2,2-bis[3-(aziridin-1-yl)propanoyloxymethyl]-3-hydroxypropyl] 3-(aziridin-1-yl)propanoate
CAS-57116-45-7
3-(aziridin-1-yl)propanoate; 2,2-bis(hydroxymethyl)propane-1,3-diol;Pentaerythritol tris(3-(1-aziridinyl)propionate)
Xama 7
Pentaerythritoltris(3-(1-aziridinyl)propionate)
TAZO
XAMA-7
MFCD01757346
NCGC00256165-01
Pentaerythritol-tris-(beta-(N-aziridinyl)propionate)
Pentaerythritol tris(3-aziridin-1-ylpropionate)
FT-0652417
Pentaerythritol tris(3-(1-aziridinyl)propionate)
1-Aziridinepropanoic acid, 2-((3-(1-aziridinyl)-1-oxopropoxy)methyl)-2-(hydroxymethyl)-1,3-propanediyl ester
CS-0158335
AS-50342
Pentaerythritol tris-[3-(1-aziridinyl)-propionate]
3-{[3-(aziridin-1-yl)propanoyl]oxy}-2-({[3-(aziridin-1-yl)propanoyl]oxy}methyl)-2-(hydroxymethyl)propyl 3-(aziridin-1-yl)propanoate

MDL Number

MFCD01757346

FAQ

What are the physical and chemical properties of 3-{[3-(1-Aziridinyl)propanoyl]oxy}-2-({[3-(1-aziridinyl)propanoyl]oxy}methyl)-2-(hydroxymethyl)propyl 3-(1-aziridinyl)propanoate (CAS: 57116-45-7)?

This compound is a crystalline solid with a high molecular weight. It has good solubility in organic solvents but is insoluble in water. It is moderately reactive, particularly in nucleophilic substitution and addition reactions. The compound is stable under normal storage conditions but may undergo degradation under strong acidic or basic conditions.

How is 3-{[3-(1-Aziridinyl)propanoyl]oxy}-2-({[3-(1-aziridinyl)propanoyl]oxy}methyl)-2-(hydroxymethyl)propyl 3-(1-aziridinyl)propanoate (CAS: 57116-45-7) typically synthesized?

This compound is synthesized via a multi-step process, involving aziridination and esterification reactions. Commonly, a carboxylic acid reacts with an aziridine to form an aziridinyl propanoyl derivative, which is then used in a ring-opening reaction to form the final product. The reaction is typically conducted in the presence of a strong base and requires careful control of reaction conditions to achieve high yield and selectivity.

What industries use 3-{[3-(1-Aziridinyl)propanoyl]oxy}-2-({[3-(1-aziridinyl)propanoyl]oxy}methyl)-2-(hydroxymethyl)propyl 3-(1-aziridinyl)propanoate (CAS: 57116-45-7)?

This compound is used in the pharmaceutical industry for the synthesis of certain drugs and in the polymer industry for the development of novel materials. It also finds application in the production of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 3-{[3-(1-Aziridinyl)propanoyl]oxy}-2-({[3-(1-aziridinyl)propanoyl]oxy}methyl)-2-(hydroxymethyl)propyl 3-(1-aziridinyl)propanoate (CAS: 57116-45-7)?

Proper personal protective equipment (PPE) should be worn, including gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood to prevent inhalation. Spills should be cleaned up using appropriate safety measures, and the substance should be stored in a cool, dry place away from oxidizing agents. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.