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4-{(1R,2R,3aS,8bS)-2-Hydroxy-1-[(1E,3S)-3-hydroxy-4-methyl-1-octen-6-yn-1-yl]-2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan-5-yl}butanoic acid | CAS No. 88430-50-6

4-{(1R,2R,3aS,8bS)-2-Hydroxy-1-[(1E,3S)-3-hydroxy-4-methyl-1-octen-6-yn-1-yl]-2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan-5-yl}butanoic acid

Basic Information

Chemical_Structure_Of
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CAS Number

88430-50-6

Molecular Formula

C24H30O5

Molecular Weight

30.07 g/mol

AD

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids
Basic Chemical Raw Materials Organic Chemicals Ethers
Basic Chemical Raw Materials Organic Chemicals Nitriles
Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds
Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates
Fine Chemicals Dyes and Pigments Organic Dyes
Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

572.1 °C at 760 mmHg

Density

1.254

Flash Point

572.1 °C at 760 mmHg

Refractive Index

1.624

SMILES

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CC#CCC(C)C(C=CC1C(CC2C1C3=CC=CC(=C3O2)CCCC(=O)O)O)O

InChI

InChI=1S/C24H30O5/c1-3-4-7-15(2)19(25)13-12-17-20(26)14-21-23(17)18-10-5-8-16(24(18)29-21)9-6-11-22(27)28/h5,8,10,12-13,15,17,19-21,23,25-26H,6-7,9,11,14H2,1-2H3,(H,27,28)/b13-12+/t15?,17-,19+,20+,21-,23-/m0/s1

InChIKey

CTPOHARTNNSRSR-APJZLKAGSA-N

LogP

1.0262

Topological Polar Surface Area

0.0 Ų

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

659

Synonyms & References

English

  • 1H-Cyclopenta[b]benzofuran-5-butanoicacid, 2,3,3a,8b-tetrahydro-2-hydroxy-1-(3-hydroxy-4-methyl-1-octen-6-yn-1-yl)-
  • Q5977854
  • NSC_2352
  • (E)-4-(2-hydroxy-1-(3-hydroxy-4-methyloct-1-en-6-ynyl)-2,3,3a,8b-tetrahydro-1H-benzo[d]cyclopenta[b]furan-5-yl)butanoic acid
  • AKOS040750784
  • D02720
  • Beraprost (USAN)
  • 1H-Cyclopenta(b)benzofuran-5-butanoic acid, 2,3,3a,8b-tetrahydro-2-hydroxy-1-(3-hydroxy-4-methyl-1-octen-6-ynyl)-
  • 88430-50-6
  • 4-{4-hydroxy-3-[(1E)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl]-7-oxatricyclo[6.4.0.0^{2,6}]dodeca-1(12),8,10-trien-9-yl}butanoic acid
  • BDBM85181
  • GTPL1967
  • L024061
  • CAS_2352
  • SCHEMBL1554145
  • beraprost
  • 4-[2-hydroxy-1-[(E)-3-hydroxy-4-methyloct-1-en-6-ynyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]butanoic acid
  • 88430-50-6 (free acid)
  • SCHEMBL1554142
  • 4-(2-Hydroxy-1-(3-hydroxy-4-methyloct-1-en-6-yn-1-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]benzofuran-5-yl)butanoic acid
  • Beraprost
  • BERAPROST SODIUM
  • 2-Hydroxy-1-(3-hydroxy-4-methyl-1-octen-6-ynyl)-2,3,3A,8B-tetrahydro-1H-cyclopenta(B)benzofuran-5-butanoic acid
  • Befaprost
  • Beraprostum
  • Domer
  • ML 1229
  • Unii-35E3njj4o6
  • 2,3,3a,8b-Tetrahydro-2-hydroxy-1-(3-hydroxy-4-methyl-1-octen-6-ynyl)-1H-cyclopenta[b]benzofuran-5-butanoic acid

MDL Number

MFCD01745574

FAQ

What are the physical and chemical properties of 4-{(1R,2R,3aS,8bS)-2-Hydroxy-1-[(1E,3S)-3-hydroxy-4-methyl-1-octen-6-yn-1-yl]-2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan-5-yl}butanoic acid (CAS: 88430-50-6)?
This compound is a solid with a crystalline form. Its molecular weight is approximately 392.46 g/mol. It has a low solubility in water but is more soluble in organic solvents. It exhibits limited reactivity under normal conditions but can undergo hydrolysis under acidic or basic conditions. It is sensitive to moisture and should be stored in a dry environment.

How is 4-{(1R,2R,3aS,8bS)-2-Hydroxy-1-[(1E,3S)-3-hydroxy-4-methyl-1-octen-6-yn-1-yl]-2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan-5-yl}butanoic acid (CAS: 88430-50-6) typically synthesized?
This compound can be synthesized via a multi-step organic synthesis route involving alkylation, coupling, and ring formation reactions. Specific catalysts and protecting groups are used to achieve high selectivity and yield. The exact method may vary depending on the starting materials and desired product purity.

What industries use 4-{(1R,2R,3aS,8bS)-2-Hydroxy-1-[(1E,3S)-3-hydroxy-4-methyl-1-octen-6-yn-1-yl]-2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan-5-yl}butanoic acid (CAS: 88430-50-6)?
This compound is primarily used in the pharmaceutical industry for research purposes. It may also have applications in the development of new materials in the polymer and sensor industries. Its specific uses are limited due to its complex structure and high reactivity.

What precautions should be taken when handling 4-{(1R,2R,3aS,8bS)-2-Hydroxy-1-[(1E,3S)-3-hydroxy-4-methyl-1-octen-6-yn-1-yl]-2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan-5-yl}butanoic acid (CAS: 88430-50-6)?
When handling this compound, ensure the use of appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be performed in a well-ventilated area or fume hood. Spills should be cleaned up immediately using appropriate materials. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.

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4-{(1R,2R,3aS,8bS)-2-Hydroxy-1-[(1E,3S)-3-hydroxy-4-methyl-1-octen-6-yn-1-yl]-2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan-5-yl}butanoic acid — Guangdong Liwei Pharmaceutical Co., Ltd.

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4-{(1R,2R,3aS,8bS)-2-Hydroxy-1-[(1E,3S)-3-hydroxy-4-methyl-1-octen-6-yn-1-yl]-2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan-5-yl}butanoic acid — Shanghai Jixiang Biotechnology Co., Ltd.

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4-{(1R,2R,3aS,8bS)-2-Hydroxy-1-[(1E,3S)-3-hydroxy-4-methyl-1-octen-6-yn-1-yl]-2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan-5-yl}butanoic acid — ShenZhenAiTaHuaXue Co Ltd

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