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1,2,3,6-Tetrahydropyridine

CAS 694-05-3C5H9NChemical Synthesis

1,2,3,6-Tetrahydropyridine (CAS: 694-05-3), with the molecular formula C5H9N, is a valuable heterocyclic organic compound. It serves as a key building block in chemical synthesis, particularly in the formation of ene-endo-spirocyclic ammonium ylids. These intermediates are crucial for subsequent [2,3]-tropic rearrangements, leading to the synthesis of pyrroloazepinones and oxazepinones.

Synonyms
6-Tetrahydropyridine694-05-3C5H9N
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1,2,3,6-Tetrahydropyridine (C5H9N) — chemical structure, CAS 694-05-3; Chemistry, fine chemical supplied by Tech Serve Solutions
Building BlocksChemical SynthesisHeterocyclic Building BlocksPyridines
01 /Applications

Synthesis of Spirocyclic Compounds

1,2,3,6-Tetrahydropyridine is utilised in the generation of ene-endo-spirocyclic ammonium ylids. These reactive intermediates are fundamental for achieving [2,3]-tropic rearrangements.

Precursor to Pyrroloazepinones and Oxazepinones

The ylids formed from 1,2,3,6-Tetrahydropyridine can undergo rearrangement to yield complex heterocyclic structures such as pyrroloazepinones and oxazepinones, which are of interest in medicinal chemistry.

Heterocyclic Building Block

As a pyridine derivative, this compound is a versatile building block for constructing more complex nitrogen-containing heterocyclic systems used in organic synthesis and materials science.

02 /Properties
Molecular weight83.13
Empirical formulaC5H9N
Assay97%
Boiling point108 °C(lit.)
Density0.911 g/mL at 25 °C(lit.)
Refractive indexn20/D 1.48(lit.)
ApplicationUsed to form ene-endo-spirocyclic ammonium ylids for [2,3]-tropic rearrangement to pyrroloazepinones and oxazepinones.1
Melting point−48 °C(lit.)
03 /Safety & handling
GHS hazard pictogram: Flammable (GHS02)
Flammable
GHS hazard pictogram: Harmful / irritant (GHS07)
Harmful / irritant
Danger

Hazard statements

  • H225Highly flammable liquid and vapour
  • H315Causes skin irritation
  • H319Causes serious eye irritation
  • H335May cause respiratory irritation

Precautionary statements

  • P210Keep away from heat, sparks and open flames. No smoking
  • P261Avoid breathing dust, fume, gas or vapours
  • P305IF IN EYES
Protective equipmentEyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Flash point16 °C / 60.8 °F
Transport (UN / ADR)UN 2410 3 / PGII
Water hazard class (WGK, DE)3
Hazard codes (EU)F,Xi
Risk statements (R)11-36/37/38
Safety statements (S)16-26-36/37/39

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

04 /Identifiers & registry
CAS number
694-05-3
MDL number
MFCD00005949
PubChem substance
24848181
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 1,2,3,6-Tetrahydropyridine used for?

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1,2,3,6-Tetrahydropyridine is primarily used as a building block in chemical synthesis for the formation of ene-endo-spirocyclic ammonium ylids, which are intermediates for [2,3]-tropic rearrangements to pyrroloazepinones and oxazepinones.

What is the CAS number and molecular formula for 1,2,3,6-Tetrahydropyridine?

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The CAS number for 1,2,3,6-Tetrahydropyridine is 694-05-3, and its molecular formula is C5H9N.

What grade and purity does Tech Serve Solutions supply for 1,2,3,6-Tetrahydropyridine?

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Tech Serve Solutions supplies 1,2,3,6-Tetrahydropyridine with an assay of 97%. TSS does not represent this product as USP, BP, or EP grade.

How should 1,2,3,6-Tetrahydropyridine be handled safely?

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1,2,3,6-Tetrahydropyridine is a flammable liquid and vapour (H225), causing skin irritation (H315), serious eye irritation (H319), and respiratory irritation (H335). Handle with appropriate personal protective equipment, including eyeshields, gloves, and suitable respiratory protection, in a well-ventilated area away from ignition sources.

Is 1,2,3,6-Tetrahydropyridine a controlled substance?

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The provided safety data does not indicate that 1,2,3,6-Tetrahydropyridine is a controlled substance. Users should always verify local regulations.

How is 1,2,3,6-Tetrahydropyridine packed, shipped, and exported?

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1,2,3,6-Tetrahydropyridine is UN 2410, Class 3, Packing Group II. Tech Serve Solutions ensures compliant packaging and export according to international regulations for hazardous materials.

How can I request a sample or quote for 1,2,3,6-Tetrahydropyridine?

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To request a sample or quote for 1,2,3,6-Tetrahydropyridine, please contact our sales department through the website or by phone, providing your specific requirements.

Need 1,2,3,6-Tetrahydropyridine in a specific grade or volume?