Cas no 88485-78-3 (1-Methyl-b-oxo-cyclopropanepropanenitrile)

1-Methyl-b-oxo-cyclopropanepropanenitrile is a specialized cyclopropane derivative featuring a nitrile functional group and a ketone moiety. Its unique structure makes it a valuable intermediate in organic synthesis, particularly for constructing complex cyclic frameworks. The compound's reactivity is enhanced by the strained cyclopropane ring, enabling selective transformations such as ring-opening reactions or nucleophilic additions. The presence of both carbonyl and nitrile groups offers versatility in further functionalization, making it useful in pharmaceutical and agrochemical research. High purity grades ensure consistent performance in synthetic applications. Proper handling is advised due to potential reactivity under certain conditions.
1-Methyl-b-oxo-cyclopropanepropanenitrile structure
88485-78-3 structure
Product Name:1-Methyl-b-oxo-cyclopropanepropanenitrile
CAS No:88485-78-3
MF:C7H9NO
MW:123.152461767197
MDL:MFCD04114335
CID:709498
PubChem ID:13393046
Update Time:2025-06-07

1-Methyl-b-oxo-cyclopropanepropanenitrile Chemical and Physical Properties

Names and Identifiers

    • Cyclopropanepropanenitrile,1-methyl-b-oxo-
    • 3-(1-methylcyclopropyl)-3-oxopropanenitrile
    • 3-(1-Methyl-cyclopropyl)-3-oxo-propionitrile
    • 1-methylcyclopropanoylacetonitrile
    • 3-(1-methylcyclopropyl)-3-oxopropanonitrile
    • Cyclopropanepropanenitrile,1-methyl-b-oxo
    • 1-Methyl-β-oxocyclopropanepropanenitrile (ACI)
    • 3-(1-Methylcyclopropyl)-3-oxopropionitrile
    • 1-Methyl-
    • EN300-1609118
    • MFCD04114335
    • BS-53023
    • GSPAKADVCIANQO-UHFFFAOYSA-N
    • A-oxocyclopropanepropanenitrile
    • AT28129
    • AKOS006293913
    • 88485-78-3
    • A1-22365
    • DB-077315
    • CS-0235790
    • (1-methylcyclopropylcarbonyl)acetonitrile
    • SY251136
    • SCHEMBL283516
    • 1-Methyl-b-oxo-cyclopropanepropanenitrile
    • SB39355
    • DTXSID40539182
    • MDL： MFCD04114335
    • Inchi： 1S/C7H9NO/c1-7(3-4-7)6(9)2-5-8/h2-4H2,1H3
    • InChI Key： GSPAKADVCIANQO-UHFFFAOYSA-N
    • SMILES： N#CCC(C1(CC1)C)=O

Computed Properties

  • Exact Mass: 123.06800
  • Monoisotopic Mass: 123.068413911g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 2
  • Complexity: 182
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.7
  • Topological Polar Surface Area: 40.9?2

Experimental Properties

  • PSA: 40.86000
  • LogP: 1.26928

1-Methyl-b-oxo-cyclopropanepropanenitrile Customs Data

  • HS CODE：2926909090
  • Customs Data：

    China Customs Code:

    2926909090

    Overview:

    2926909090 Other nitrile based compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

1-Methyl-b-oxo-cyclopropanepropanenitrile Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
JIE DA WEI （ SHANG HAI ） YI YAO KE JI FA ZHAN Co., Ltd.
05R0018-1g
3-(1-Methyl-cyclopropyl)-3-oxo-propionitrile
 88485-78-3 95%
1g
 2883.34CNY 2021-05-08
JIE DA WEI （ SHANG HAI ） YI YAO KE JI FA ZHAN Co., Ltd.
05R0018-5g
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 88485-78-3 95%
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JIE DA WEI （ SHANG HAI ） YI YAO KE JI FA ZHAN Co., Ltd.
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 88485-78-3 95%
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JIE DA WEI （ SHANG HAI ） YI YAO KE JI FA ZHAN Co., Ltd.
05R0018-250mg
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 88485-78-3 95%
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JIE DA WEI （ SHANG HAI ） YI YAO KE JI FA ZHAN Co., Ltd.
05R0018-100mg
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 88485-78-3 95%
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JIE DA WEI （ SHANG HAI ） YI YAO KE JI FA ZHAN Co., Ltd.
05R0018-50mg
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 88485-78-3 95%
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TRC
M265183-10mg
1-Methyl-b-oxo-cyclopropanepropanenitrile
 88485-78-3
10mg
 $ 50.00 2022-06-04
TRC
M265183-50mg
1-Methyl-b-oxo-cyclopropanepropanenitrile
 88485-78-3
50mg
 $ 115.00 2022-06-04
TRC
M265183-100mg
1-Methyl-b-oxo-cyclopropanepropanenitrile
 88485-78-3
100mg
 $ 185.00 2022-06-04
abcr
AB535930-1 g
3-(1-Methyl-cyclopropyl)-3-oxo-propionitrile
 88485-78-3
1g
 €636.00 2023-04-14

1-Methyl-b-oxo-cyclopropanepropanenitrile Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran ,  Hexane ;  1 h, -78 °C
1.2 3 h, -78 °C → -10 °C
1.3 Reagents: Hydrochloric acid Solvents: Water ;  -10 °C
Reference
Design and synthesis of novel methoxypyridine-derived gamma-secretase modulators
Rynearson, Kevin D. ; et al, Bioorganic & Medicinal Chemistry, 2020, 28(22),

Production Method 2

Reaction Conditions
1.1 Reagents: Sodium hydride Solvents: Tetrahydrofuran ;  15 h, 75 °C
Reference
Discovery and optimization of a highly efficacious class of 5-aryl-2-aminopyridines as FMS-like tyrosine kinase 3 (FLT3) inhibitors
Liu, Gang; et al, Bioorganic & Medicinal Chemistry Letters, 2015, 25(17), 3436-3441

Production Method 3

Reaction Conditions
1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran ;  -78 °C → rt
Reference
Discovery, synthesis and characterization of a series of (1-alkyl-3-methyl-1H-pyrazol-5-yl)-2-(5-aryl-2H-tetrazol-2-yl)acetamides as novel GIRK1/2 potassium channel activators
Sharma, Swagat; et al, Bioorganic & Medicinal Chemistry Letters, 2019, 29(6), 791-796

1-Methyl-b-oxo-cyclopropanepropanenitrile Raw materials

1-Methyl-b-oxo-cyclopropanepropanenitrile Preparation Products

1-Methyl-b-oxo-cyclopropanepropanenitrile Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:88485-78-3)1-Methyl-b-oxo-cyclopropanepropanenitrile
Order Number:A1043537
Stock Status:in Stock
Quantity:1g/5g
Purity:99%
Pricing Information Last Updated:Thursday, 29 August 2024 17:15
Price ($):325.0/1137.0

1-Methyl-b-oxo-cyclopropanepropanenitrile Related Literature

88485-78-3 (1-Methyl-b-oxo-cyclopropanepropanenitrile) Related Products

Recommended suppliers
Amadis Chemical Company Limited
(CAS:88485-78-3)1-Methyl-b-oxo-cyclopropanepropanenitrile
A1043537
Purity:99%/99%
Quantity:1g/5g
Price ($):325.0/1137.0
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