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(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile | CAS No. 121055-10-5

(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile

Basic Information

Chemical_Structure_Of
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CAS Number

121055-10-5

Molecular Formula

C17H17NO4

Molecular Weight

299.32 g/mol

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Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids
Basic Chemical Raw Materials Organic Chemicals Ketones
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

SMILES

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CC1(C(C(C2=C(O1)C=CC(=C2)C#N)OC3=CC(=O)CC3)O)C

InChI

InChI=1S/C17H17NO4/c1-17(2)16(20)15(21-12-5-4-11(19)8-12)13-7-10(9-18)3-6-14(13)22-17/h3,6-8,15-16,20H,4-5H2,1-2H3/t15-,16+/m1/s1

InChIKey

WJBHHTPFTVKZCV-CVEARBPZSA-N

LogP

2.39468

Complexity

544

Synonyms & References

English

  • HMS1361H11
  • (3S,4R)-3-hydroxy-2,2-dimethyl-4-[(3-oxocyclopent-1-en-1-yl)oxy]-3,4-dihydro-2H-1-benzopyran-6-carbonitrile
  • CBiol_001844
  • KBio2_005285
  • Bio1_001108
  • SCHEMBL6369151
  • PCO-400
  • Sdz pco-400
  • KBioGR_000149
  • (3S,4R)-3-hydroxy-2,2-dimethyl-4-(3-oxocyclopenten-1-yl)oxy-3,4-dihydrochromene-6-carbonitrile
  • CHEBI:92920
  • sdzpco400
  • SDZ-PCO-400
  • NCGC00163140-03
  • 3,4-Dihydro-3-hydroxy-2,2-dimethyl-4-(3-oxo-cyclopent-1-enyloxy)-2H-1-benzopyran-6-carbonitrile
  • KBio2_002717
  • Q27164662
  • BRD-K52721684-001-02-2
  • HMS3402H11
  • CHEMBL61723
  • WJBHHTPFTVKZCV-CVEARBPZSA-N
  • NCGC00163140-02
  • (3S,4R)-3-hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopentenyl)oxy]-3,4-dihydro-2H-1-benzopyran-6-carbonitrile
  • Bio2_000629
  • IDI1_033899
  • PCO 400
  • DTXSID10923650
  • KBio3_000297
  • KBioSS_000149
  • HMS1989H11
  • (3S,4R)-3-Hydroxy-2,2-dimethyl-4-((3-oxocyclopent-1-en-1-yl)oxy)chromane-6-carbonitrile

MDL Number

MFCD00879250

FAQ

What are the physical and chemical properties of (3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile (CAS: 121055-10-5)?
(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile (CAS: 121055-10-5) is a crystalline solid with a molecular weight of approximately 330.35 g/mol. It has a low solubility in water but is soluble in organic solvents like ethanol and acetone. This compound is known for its reactivity, particularly in nucleophilic substitution reactions and condensation reactions.

How is (3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile (CAS: 121055-10-5) typically synthesized?
(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile (CAS: 121055-10-5) is synthesized through a multi-step process involving the condensation of a chromanone derivative with a cyclopentenone, followed by hydroxylation and nitrile formation. The yield is typically around 70-80%, and the reaction is catalyzed by transition metal complexes.

What industries use (3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile (CAS: 121055-10-5)?
(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile (CAS: 121055-10-5) is primarily used in the pharmaceutical industry for drug development. It also finds applications in the production of sensors and as a building block in the synthesis of novel materials in the polymer and semiconductor industries.

What precautions should be taken when handling (3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile (CAS: 121055-10-5)?
When handling (3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile (CAS: 121055-10-5), it is crucial to wear appropriate personal protective equipment (PPE), including gloves and goggles. Store the compound in a well-ventilated area and avoid contact with water. In case of a spill, use appropriate containment and disposal methods as outlined in the safety data sheet (SDS).

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Supplier Information

Shanghai Hansi Chemical Co., Ltd.

CAS Number: 121055-10-5

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(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile — ShenZhenAiTaHuaXue Co Ltd

ShenZhenAiTaHuaXue Co Ltd

CAS Number: 121055-10-5

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Shanghai Aladdin Bio-Technologies Co., Ltd.

CAS Number: 121055-10-5

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(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile — Shanghai Jixiang Biotechnology Co., Ltd.

Shanghai Jixiang Biotechnology Co., Ltd.

CAS Number: 121055-10-5

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Hubei Qingbei Yunchen Medicine Technology Co., Ltd.

CAS Number: 121055-10-5

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HuBeiGuoYunFuRui Technology Co Ltd

CAS Number: 121055-10-5

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