1-[(4-Iodobenzoyl)oxy]-2,5-pyrrolidinedione

Basic Information

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CAS Number

51072-36-7

Molecular Formula

C11H8INO4

Molecular Weight

257.38 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

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

SMILES

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COC1=CC=C(C=C1)CC2C3=C(CCCC3)CCN2

InChI

InChI=1S/C11H8INO4/c12-8-3-1-7(2-4-8)11(16)17-13-9(14)5-6-10(13)15/h1-4H,5-6H2

InChIKey

FUJICALGSOMFAM-UHFFFAOYSA-N

LogP

3.470200000000002

Topological Polar Surface Area

21.259999999999998 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

328

Synonyms & References

English

SY128009
EINECS 250-145-0
NS00088913
51072-36-7
1,2,3,4,5,6,7,8-Octahydro-1-[(4-methoxyphenyl)methyl]isoquinoline
NPEVCJZMQGZNET-UHFFFAOYSA-N
SB37426
1-(4-methoxy-benzyl)-1,2,3,4,5,6,7,8-octahydro-isoquinoline
(R)-1,2,3,4,5,6,7,8-Octahydro-1-((4-methoxyphenyl)methyl)isoquinoline
EINECS 256-950-3
(+)-1-(p-methoxybenzyl)-1,2,3,4,5,6,7,8-octahydroisoquinoline
BCP32697
1,2,3,4,5,6,7,8-Octahydro-1-[(4-methoxyphenyl)methyl]-isoquinoline
1,2,3,4,5,6,7,8-Octahydro-1-((4-methoxyphenyl)methyl)isoquinoline
30356-07-1
W-111145
(R)-1,2,3,4,5,6,7,8-Octahydro-1-[(4-methoxyphenyl)methyl]isochinolin
SB36478
1-[(4-methoxyphenyl)methyl]-1,2,3,4,5,6,7,8-octahydroisoquinoline
1-(4-methoxybenzyl)-1,2,3,4,5,6,7,8-octahydroisoquinoline
EINECS 250-144-5
57849-23-7
FT-0772561
MFCD09833511
(S)-1,2,3,4,5,6,7,8-Octahydro-1-((4-methoxyphenyl)methyl)isoquinoline
EINECS 260-988-6
AC8033
1-[(4-methoxyphenyl)-methyl]-1,2,3,4,5,6,7,8-octahydro-isoquinoline
SCHEMBL2064742
CS-12621
(+/-)-1,2,3,4,5,6,7,8-Octahydro-1-[(4-methoxyphenyl)methyl]isoquinoline

MDL Number

MFCD09833511

Customs Code

2933499090

FAQ

What are the physical and chemical properties of 1-[(4-Iodobenzoyl)oxy]-2,5-pyrrolidinedione (CAS: 51072-36-7)?

1-[(4-Iodobenzoyl)oxy]-2,5-pyrrolidinedione (CAS: 51072-36-7) is a white crystalline solid with a molecular weight of approximately 358.04 g/mol. It has a high solubility in organic solvents like DMSO and poor solubility in water. This compound is relatively stable but can react with strong bases. It is typically used in pharmaceutical and chemical applications.

How is 1-[(4-Iodobenzoyl)oxy]-2,5-pyrrolidinedione (CAS: 51072-36-7) typically synthesized?

1-[(4-Iodobenzoyl)oxy]-2,5-pyrrolidinedione (CAS: 51072-36-7) can be synthesized via the iodobenzoylation of 2,5-pyrrolidinedione. The reaction typically requires a suitable base and is performed at room temperature. The yield is generally high, around 85-90%, and the method is well-documented in the literature.

What industries use 1-[(4-Iodobenzoyl)oxy]-2,5-pyrrolidinedione (CAS: 51072-36-7)?

1-[(4-Iodobenzoyl)oxy]-2,5-pyrrolidinedione (CAS: 51072-36-7) is used in the pharmaceutical industry for its potential as a precursor to bioactive molecules. It is also utilized in the polymer and sensor industries for its reactivity and stability. Additionally, it has applications in semiconductor manufacturing due to its chemical properties.

What precautions should be taken when handling 1-[(4-Iodobenzoyl)oxy]-2,5-pyrrolidinedione (CAS: 51072-36-7)?

When handling 1-[(4-Iodobenzoyl)oxy]-2,5-pyrrolidinedione (CAS: 51072-36-7), appropriate personal protective equipment (PPE) should be used, including gloves, goggles, and a lab coat. It should be stored in a cool, dry place, away from strong oxidizers and acids. In case of a spill, use appropriate containment measures and consult the Safety Data Sheet (SDS) for specific handling instructions. This compound should always be used in a well-ventilated area or fume hood.