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CAS RN: 35202-54-1 | Product Number: D4485

4,5-Dimethoxy-1-benzocyclobutenecarbonitrile


Purity: >98.0%(HPLC)(N)
Synonyms:
  • 1-Cyano-4,5-dimethoxybenzocyclobutene
  • 3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile
Product Documents:
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Product Number D4485
Purity / Analysis Method >98.0%(HPLC)(N)
Molecular Formula / Molecular Weight C__1__1H__1__1NO__2 = 189.21 
Physical State (20 deg.C) Solid
Storage Temperature Room Temperature (Recommended in a cool and dark place, <15°C)
CAS RN 35202-54-1
Reaxys Registry Number 2213391
PubChem Substance ID 253661877
MDL Number

MFCD01846132

Specifications
Appearance White to Light yellow to Light orange powder to crystal
Purity(HPLC) min. 98.0 area%
Purity(with Total Nitrogen) min. 98.0 %
Melting point 84.0 to 88.0 °C
Properties (reference)
Melting Point 86 °C
Solubility (soluble in) Methanol
GHS
Pictogram Pictogram
Signal Word Warning
Hazard Statements H302 + H312 + H332 : Harmful if swallowed, in contact with skin or if inhaled.
H315 : Causes skin irritation.
H319 : Causes serious eye irritation.
Precautionary Statements P261 : Avoid breathing dust.
P264 : Wash skin thoroughly after handling.
P280 : Wear protective gloves/ protective clothing/ eye protection/ face protection/ hearing protection.
P337 + P313 : If eye irritation persists: Get medical advice/ attention.
P302 + P352 + P312 : IF ON SKIN: Wash with plenty of water. Call a POISON CENTER/doctor if you feel unwell.
P304 + P340 + P312 : IF INHALED: Remove person to fresh air and keep comfortable for breathing. Call a POISON CENTER/doctor if you feel unwell.
Related Laws:
Transport Information:
HS Number 2926907090
Application
A Synthetic Intermediate of Ivabradine Hydrochloride

This product has been used as a synthetic intermediate of ivabradine hydrochloride [I0847], which is a selective If current inhibitor.

References

  • New synthetic route to (1S)-4,5-dimethoxy-1-[(methylamino)methyl]benzocyclobutane, a key intermediate of ivabradine
  • Preparation of N-[[(benzocyclobutylalkyl)amino]alkyl]tetrahydro-3-benzazepin-2-ones and analogs as cardiovascular agents
    • J. L. Peglion, J. Vian, J. P. Vilaine, N. Villeneuve, P. Janiak, J. P. Bidouard, EP534859 A1.
  • Process for preparation of ivabradine via resolution of N-[[3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methyl]-N-methylamine
    • P. Bose, U. B. R. Siripalli, A. S. Kandadai, WO2010072409 A1.


PubMed Literature


Product Documents (Note: Some products will not have analytical charts available.)
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