3-[3-(3-Butyn-1-yl)-3H-diaziren-3-yl]propanoic acid

Basic Information

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CAS Number

1450754-37-6

Molecular Formula

C8H10N2O2

Molecular Weight

16.04 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

SMILES

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C#CCCC1(N=N1)CCC(=O)O

InChI

InChI=1S/C8H10N2O2/c1-2-3-5-8(9-10-8)6-4-7(11)12/h1H,3-6H2,(H,11,12)

InChIKey

JRNSKSYASHYNCM-UHFFFAOYSA-N

LogP

0.6361

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

256

Synonyms & References

English

Carboxyl diazirine alkyne
Probe building block
3-(3-(but-3-yn-1-yl)-3H-diazirin-3-yl)propanoic acid
3-(3-Butyn-1-yl)-3H-diazirine-3-propanoic acid
3-[3-(3-Butyn-1-yl)-3H-diazirin-3-yl]propanoic Acid
BCP25912
C(CC#C)C1(N=N1)CCC(=O)O
SY247076
3-(3-but-3-ynyldiazirin-3-yl)propanoic acid

MDL Number

MFCD31433997

FAQ

What are the physical and chemical properties of 3-[3-(3-Butyn-1-yl)-3H-diaziren-3-yl]propanoic acid (CAS: 1450754-37-6)?

3-[3-(3-Butyn-1-yl)-3H-diaziren-3-yl]propanoic acid is a crystalline compound with a molecular weight of approximately 228.23 g/mol. It has a melting point around 100°C and is poorly soluble in water but soluble in organic solvents like ethanol. It exhibits reactivity typical of acid and alkene functional groups, making it susceptible to nucleophilic substitution and addition reactions.

How is 3-[3-(3-Butyn-1-yl)-3H-diaziren-3-yl]propanoic acid (CAS: 1450754-37-6) typically synthesized?

3-[3-(3-Butyn-1-yl)-3H-diaziren-3-yl]propanoic acid can be synthesized via a multi-step process involving the diazirination of propionic acid, followed by the addition of 3-butyn-1-yl moiety using a Grignard reagent. The process requires careful control of reaction conditions to achieve high yield and selectivity, often involving protective groups and purification steps.

What industries use 3-[3-(3-Butyn-1-yl)-3H-diaziren-3-yl]propanoic acid (CAS: 1450754-37-6)?

This compound is used in the pharmaceutical industry for the development of novel drug candidates, particularly those involving small molecule synthesis and functional group manipulation. It also finds applications in the semiconductor industry, where its reactivity and functional groups are utilized in the fabrication of advanced materials and devices.

What precautions should be taken when handling 3-[3-(3-Butyn-1-yl)-3H-diaziren-3-yl]propanoic acid (CAS: 1450754-37-6)?

Handling this compound requires the use of personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work should be performed in a well-ventilated area or fume hood. Spills should be handled carefully, using absorbent materials, and the area should be cleaned with appropriate solvents. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.