Cas no 22035-53-6 (Dimethyl isopropylidenemalonate)

Dimethyl isopropylidenemalonate is a versatile malonate ester derivative characterized by its reactive isopropylidene group. This compound serves as a valuable intermediate in organic synthesis, particularly in the preparation of heterocyclic compounds, pharmaceuticals, and fine chemicals. Its high reactivity enables efficient condensation and alkylation reactions, making it useful for constructing complex molecular frameworks. The ester groups enhance solubility in common organic solvents, facilitating handling in various reaction conditions. Additionally, the isopropylidene moiety offers steric and electronic modulation, allowing selective functionalization. This product is typically employed in controlled environments due to its sensitivity to moisture and strong bases. Proper storage under inert conditions is recommended to maintain stability.
Dimethyl isopropylidenemalonate structure
22035-53-6 structure
Product Name:Dimethyl isopropylidenemalonate
CAS No:22035-53-6
MF:C8H12O4
MW:172.178483009338
MDL:MFCD00517665
CID:88309
PubChem ID:5162084
Update Time:2025-06-07

Dimethyl isopropylidenemalonate Chemical and Physical Properties

Names and Identifiers

    • Dimethyl 2-(propan-2-ylidene)malonate
    • Dimethyl isopropylidenemalonate
    • DIETHYL ISOPROPYLMALONATE
    • dimethyl 2-propan-2-ylidenepropanedioate
    • (1-methylethylidene)propanedioic acid,dimethyl ester
    • isopropylidene malonate de methyle
    • isopropylidene malonate dimethylique
    • isopropylidenemalonic acid dimethyl ester
    • methyl 2-carbomethoxy-3-methylbut-2-enoate
    • methyl 2-methoxycarbonyl-3-methyl-2-butenoate
    • 2-(1-Methylethylidene)propanedioicacid 1,3-dimethyl ester
    • 1,3-dimethyl 2-(propan-2-ylidene)propanedioate
    • Propanedioic acid, (1-methylethylidene)-, dimethyl ester
    • KSC497I6N
    • dimethyl isopropylidenemalonate
    • QJASGQYZCPDCJR-UHFFFAOYSA-N
    • NE26687
    • Dimethyl (propan-2-ylidene)propanedioate
    • SY0
    • AKOS001632546
    • 22035-53-6
    • EN300-185743
    • DTXSID70409041
    • CS-0155169
    • dimethylisopropylidenemalonate
    • 2-propan-2-ylidenepropanedioic acid dimethyl ester
    • A815855
    • AC7750
    • MFCD00517665
    • AS-60869
    • FT-0654357
    • SY024179
    • SCHEMBL4824220
    • MDL： MFCD00517665
    • Inchi： 1S/C8H12O4/c1-5(2)6(7(9)11-3)8(10)12-4/h1-4H3
    • InChI Key： QJASGQYZCPDCJR-UHFFFAOYSA-N
    • SMILES： O(C)C(/C(/C(=O)OC)=C(\C)/C)=O

Computed Properties

  • Exact Mass: 172.07400
  • Monoisotopic Mass: 172.07355886g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 4
  • Complexity: 205
  • 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: 1.6
  • Topological Polar Surface Area: 52.6

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 1.070
  • Melting Point: No data available
  • Boiling Point: 179 oC
  • Flash Point: 76 oC
  • PSA: 52.60000
  • LogP: 0.66880
  • Vapor Pressure: No data available

Dimethyl isopropylidenemalonate Security Information

Dimethyl isopropylidenemalonate Customs Data

  • HS CODE：2917190090
  • Customs Data：

    China Customs Code:

    2917190090

    Overview:

    2917190090 Other acyclic polycarboxylic acids. 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, Terephthalic acid please specify4-CBAvalue, Terephthalic acid please specifyP-TLacid value, Terephthalic acid please indicate color, Terephthalic acid please indicate moisture

    Summary:

    2917190090 acyclic polycarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Dimethyl isopropylidenemalonate Pricemore >>

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Dimethyl isopropylidenemalonate Production Method

Dimethyl isopropylidenemalonate Related Literature

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