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[1S-(1β,2α,3β)]-(+)-3-Methyl-2-(nitromethyl)-5-oxocyclopentaneacetic acid

CAS 123000-45-3C9H13NO5Chemical Synthesis

[1S-(1β,2α,3β)]-(+)-3-Methyl-2-(nitromethyl)-5-oxocyclopentaneacetic acid (CAS: 123000-45-3) is a chiral organic compound with the molecular formula C9H13NO5 and a molecular weight of 215.20 g/mol. This optically active substance, exhibiting a specific rotation of [α]20/D +110°, is primarily utilised as a building block in asymmetric synthesis and chemical research. Its well-defined stereochemistry makes it a valuable intermediate for creating complex chiral molecules.

Synonyms
123000-45-3C9H13NO5
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[1S-(1β,2α,3β)]-(+)-3-Methyl-2-(nitromethyl)-5-oxocyclopentaneacetic acid (C9H13NO5) — chemical structure, CAS 123000-45-3; Chemistry, fine chemical supplied by Tech Serve Solutions
Asymmetric SynthesisCarboxylic AcidsChemical SynthesisChiral Building BlocksOrganic Building Blocks
01 /Applications

Asymmetric Synthesis

This compound serves as a crucial chiral building block for stereoselective synthesis. Its defined stereocentres are instrumental in constructing complex organic molecules with high enantiomeric purity.

Organic Synthesis Intermediate

As a functionalised cyclopentane derivative, it acts as a versatile intermediate in multi-step organic synthesis pathways. It can be employed in the development of novel chemical entities.

Research and Development

Utilised in academic and industrial research laboratories for exploring new synthetic methodologies and discovering novel compounds with potential biological activity.

02 /Properties
Molecular weight215.20
Empirical formulaC9H13NO5
Assay98%
Optical activity[α]20/D +110°, c = 1% in chloroform
Melting point58-62 °C(lit.)
03 /Safety & handling
GHS hazard pictogram: Harmful / irritant (GHS07)
Harmful / irritant
Warning

Hazard statements

  • H315Causes skin irritation
  • H319Causes serious eye irritation
  • H335May cause respiratory irritation

Precautionary statements

  • P261Avoid breathing dust, fume, gas or vapours
  • P305IF IN EYES
Protective equipmentdust mask type N95 (US), Eyeshields, Gloves
Water hazard class (WGK, DE)3
Hazard codes (EU)Xi
Risk statements (R)36/37/38
Safety statements (S)26-36

Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.

04 /Identifiers & registry
CAS number
123000-45-3
MDL number
MFCD06798122
05 /Quality & supply

Documentation

Every batch ships with a Certificate of Analysis covering assay, identity and purity; the grade is confirmed against your enquiry. Safety Data Sheets and technical data sheets are available on request.

Supply & logistics

Samples for technical evaluation; bulk MOQ by grade and packaging. In-stock material ships in 7–10 working days, worldwide, with full export documentation.

06 /Frequently asked questions

What is [1S-(1β,2α,3β)]-(+)-3-Methyl-2-(nitromethyl)-5-oxocyclopentaneacetic acid used for?

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This compound is primarily used as a chiral building block in asymmetric synthesis and as an intermediate in organic synthesis for research and development purposes.

What is the CAS number and formula for this chemical?

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The CAS number is 123000-45-3, and its empirical formula is C9H13NO5.

What grade and purity does Tech Serve Solutions supply?

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Tech Serve Solutions supplies this chemical with an assay of 98%. We do not represent this product as USP, BP, EP, or any other pharmacopoeial grade.

How should I safely handle [1S-(1β,2α,3β)]-(+)-3-Methyl-2-(nitromethyl)-5-oxocyclopentaneacetic acid?

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This compound is a Warning substance (GHS07) with hazards H315 (causes skin irritation), H319 (causes serious eye irritation), and H335 (may cause respiratory irritation). Recommended personal protective equipment includes a dust mask type N95 (US), eyeshields, and gloves. Ensure good ventilation and avoid inhaling dust.

Is this chemical a controlled substance?

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The provided data does not indicate that this chemical is a controlled substance.

How is this chemical packed and shipped?

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This chemical is carefully packed to ensure stability and safety during transit. Tech Serve Solutions is a global supplier and exporter, experienced in shipping fine chemicals worldwide.

How can I request a sample or a quote?

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Please contact our sales team via the website or phone to request a sample or a formal quotation for this product.

Need [1S-(1β,2α,3β)]-(+)-3-Methyl-2-(nitromethyl)-5-oxocyclopentaneacetic acid in a specific grade or volume?