Tel:

Email:

EN
Cat. No. Size / Unit Price Qty
CS-W001157 4
Total: USD 88.00

4-Methyl-3-oxopentanenitrile

  • CAS No. 29509-06-6

  • Cat. No. CS-0044094
  • Purity≥97%
  • MDL No.None

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

4-Methyl-3-oxopentanenitrile|CS-0044094

Structure of 29509-06-6

Please choose your location and provide accurate information for you
Size Stock
Price Quantity

* Please select Quantity before adding items.

General Information

  • CAS No. 29509-06-6
  • Cat. No. CS-0044094
  • Purity ≥97%
  • MDL No. None
  • Storage -20°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₉NO
  • Molecular Weight 111.14
  • Synonym(s) Isopropyl cyanomethylketone
  • SMILES CC(C)C(=O)CC#N

Description

4-Methyl-3-oxopentanenitrile features a conjugated enone-nitrile system enabling efficient Michael addition and aldol-type cyclizations. The α,β-unsaturated carbonyl motif pairs with the nitrile group to facilitate tandem reactions in synthetic pathways. This compound serves as a key building block for heterocyclic scaffolds and complex natural product analogs under mild conditions.

Application

4-Methyl-3-oxopentanenitrile serves as a versatile synthon in organic synthesis, enabling efficient construction of substituted pyrrolidines and other nitrogen-containing heterocycles via Michael addition or cyclization cascades. Its α,β-unsaturated nitrile functionality exhibits robust reactivity with nucleophiles under mild conditions, while the ketone group provides orthogonal handling for subsequent functionalization. Bench-stable and readily purified by distillation, it functions effectively in multi-step sequences requiring compatibility with diverse reaction conditions.

Synthesis

  • Route1
    • null|null
      75-05-8
    • null|null
      97-62-1
    • ~90%
    • In-stock
      4-Methyl-3-oxopentanenitrile|CS-0044094
      29509-06-6

    References

    • Kim, Bo Ram; Lee, Hyung-Geun; Kang, Seung-Beom; Jung, Kwang-Ju; Sung, Gi Hyeon; Kim, Jeum-Jong; Lee, Sang-Gyeong; Yoon, Yong-Jin Tetrahedron, 2013 , vol. 69, # 48 p. 10331 - 10336
  • Route2
    • null|null
      97-62-1
    • ~68%
    • In-stock
      4-Methyl-3-oxopentanenitrile|CS-0044094
      29509-06-6

    References

    • Bristol-Myers Squibb Company Patent: US2008/45496 A1, 2008 ; Location in patent: Page/Page column 14 ;
  • Route3
    • null|null
      79-30-1
    • null|null
      75-05-8
    • ~91%
    • In-stock
      4-Methyl-3-oxopentanenitrile|CS-0044094
      29509-06-6

    References

    • EXELIXIS, INC. Patent: US2008/249079 A1, 2008 ; Location in patent: Page/Page column 144 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2810
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301+H311+H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P403+P233-P405-P501

Quality Control

To search for quality control of cas , please enter both the product number and the lot/batch number.

Computational Chemistry Data

  • TPSA   40.86
  • LogP   1.12518
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

Other Classifications

Recently Viewed Products

Leave US a Message
Upload Pictures

Key Words

  • 4-Methyl-3-oxopentanenitrile sigma4-Methyl-3-oxopentanenitrile manufacturer4-Methyl-3-oxopentanenitrile price4-Methyl-3-oxopentanenitrile structure4-Methyl-3-oxopentanenitrile SDSbuy 4-Methyl-3-oxopentanenitrile4-Methyl-3-oxopentanenitrile supplier4-Methyl-3-oxopentanenitrile uses4-Methyl-3-oxopentanenitrile molecular weightprice of 4-Methyl-3-oxopentanenitrile4-Methyl-3-oxopentanenitrile chemical name formula of 4-Methyl-3-oxopentanenitrile
This product is not sold in the region.
Confirm
How to get a Lot Number

Lot numbers can be found on the outside label of a product:

ChemScene Label