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CS-W001157 4
Total: USD 88.00

3-Methyl-2-nitrobenzyl alcohol

  • CAS No. 80866-76-8

  • Cat. No. CS-0204692
  • Purity≥98%
  • MDL No.MFCD00007182

*For research and further manufacturing use only, not for direct human use.

3-Methyl-2-nitrobenzyl alcohol|CS-0204692

Structure of 80866-76-8

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General Information

  • CAS No. 80866-76-8
  • Cat. No. CS-0204692
  • Purity ≥98%
  • MDL No. MFCD00007182
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉NO₃
  • Molecular Weight None
  • Synonym(s) 2-Nitro-3-methylbenzenemethanol
  • SMILES [O-][N+](C1=C(CO)C=CC=C1C)=O

Description

3-Methyl-2-nitrobenzyl alcohol undergoes condensation with N,N-dimethylformamide dimethyl acetal followed by catalytic hydrogenation to yield 7-hydroxymethyl-indole.3-Methyl-2-nitrobenzyl alcohol was used as starting reagent in the synthesis of 7-formyl-indole.

Synthesis

  • Route1
    • null|null
      67-56-1
    • In-stock
      Methyl 3-methyl-2-nitrobenzoate|CS-M3738
      5471-82-9
    • ~96%
    • In-stock
      3-Methyl-2-nitrobenzyl alcohol|CS-0204692
      80866-76-8

    References

    • EP1431278 A1, ; Page 15 ;
  • Route2
    • null|null
      5437-38-7
    • ~87%
    • In-stock
      3-Methyl-2-nitrobenzyl alcohol|CS-0204692
      80866-76-8

    References

    • Organic Letters, , vol. 15, # 4 p. 824 - 827
  • Route3
    • null|null
      50424-93-6
    • ~62%
    • In-stock
      3-Methyl-2-nitrobenzyl alcohol|CS-0204692
      80866-76-8

    References

    • Journal of Heterocyclic Chemistry, , vol. 23, # 3 p. 897 - 899

Safety Information

Download SDS
GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   63.37
  • LogP   1.39552
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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