ChemicalBook--->CAS DataBase List--->617-52-7

617-52-7

617-52-7 Structure

617-52-7 Structure
IdentificationMore
[Name]

Dimethyl itaconate
[CAS]

617-52-7
[Synonyms]

2-METHYLENE-SUCCINIC ACID DIMETHYL ESTER
DIMETHYL 2-METHYLENESUCCINATE
DIMETHYL ITACONATE
DIMETHYL METHYLENESUCCINATE
ITACONIC ACID DIMETHYL ESTER
METHYL ITACONATE
Butanedioic acid, 2-methylene-, dimethyl ester
methylene-butanedioicacid,dimethylester
Methylenesuccinic acid, dimethyl ester
methylenesuccinicaciddimethylester
Succinic acid, methylene-, dimethyl ester
2-AMINO-6-CHLOROPURINE, 99+%
Butanedioic acid, methylene-, dimethyl ester
Dimethyl Itaconate (stabilized with HQ)
Dimethyl methylenebutanedioate
Methyl 4-methoxy-2-methylene-4-oxobutanoate
1-Propene-2,3-dicarboxylic acid dimethyl ester
2-Methylenebutanedioic acid dimethyl ester
Dimethyl 1-propene-2,3-dicarboxylate
[EINECS(EC#)]

210-519-6
[Molecular Formula]

C7H10O4
[MDL Number]

MFCD00008446
[Molecular Weight]

158.15
[MOL File]

617-52-7.mol
Chemical PropertiesBack Directory
[Appearance]

white crystalline low melting mass or liquid
[Melting point ]

37-41 °C (lit.)
[Boiling point ]

208 °C (lit.)
[density ]

1.124 g/mL at 25 °C(lit.)
[vapor pressure ]

4.05Pa at 20℃
[refractive index ]

1.4457 (estimate)
[Fp ]

213 °F
[storage temp. ]

Inert atmosphere,2-8°C
[solubility ]

Chloroform (Slightly), Ethyl Acetate (Slightly)
[form ]

Crystalline Low Melting Mass or Liquid
[color ]

White
[Specific Gravity]

1.124
[Water Solubility ]

slightly soluble
[BRN ]

386674
[InChIKey]

ZWWQRMFIZFPUAA-UHFFFAOYSA-N
[LogP]

0.86 at 25℃
[CAS DataBase Reference]

617-52-7(CAS DataBase Reference)
[NIST Chemistry Reference]

Butanedioic acid, methylene-, dimethyl ester(617-52-7)
[Storage Precautions]

Moisture sensitive
[EPA Substance Registry System]

Butanedioic acid, 2-methylene-, 1,4-dimethyl ester (617-52-7)
Safety DataBack Directory
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[F ]

3
[HS Code ]

29171900
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Methanol-->Sulfuric acid-->Chloroform-->Sodium sulfate-->Itaconic acid
[Preparation Products]

1-Boc-3-pyrrolidinecarbaldehyde-->Methyl 1-Boc-3-pyrrolidinecarboxylate-->2,3-NAPHTHALENEDICARBOXYLIC ACID DIMETHYL ESTER-->Dimethyl (R)-(+)-methylsuccinate-->3-METHYLTETRAHYDROFURAN-->Itaconic acid monomethyl ester
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Dimethyl itaconate(617-52-7).msds
Hazard InformationBack Directory
[Chemical Properties]

white crystalline low melting mass or liquid
[Uses]

Dimethyl Itaconate is a chemical reagent used in the synthesis of functionalized 2-isoxazolines used in fragment-based drug discovery.
[General Description]

Dimethyl itaconate undergoes enantioselective Rh(I)-catalyzed hydrogenation which can be enhanced by appropriate choice of substituents on aromatic ring of (1,2-diarylphosphinoxy)cyclohexane.
[Flammability and Explosibility]

Nonflammable
[storage]

Store at -20°C
[Purification Methods]

Crystallise the ester from MeOH by cooling to -78o. [Beilstein 2 IV 2229.]
Spectrum DetailBack Directory
[Spectrum Detail]

Dimethyl itaconate(617-52-7)MS
Dimethyl itaconate(617-52-7)1HNMR
Dimethyl itaconate(617-52-7)13CNMR
Dimethyl itaconate(617-52-7)IR1
Dimethyl itaconate(617-52-7)IR2
Dimethyl itaconate(617-52-7)IR3
Dimethyl itaconate(617-52-7)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Dimethyl itaconate, 97%(617-52-7)
[Alfa Aesar]

Dimethyl itaconate, 97%(617-52-7)
[Sigma Aldrich]

617-52-7(sigmaaldrich)
[TCI AMERICA]

Dimethyl Itaconate  (stabilized with HQ),>98.0%(GC)(617-52-7)
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