ChemicalBook--->CAS DataBase List--->3779-29-1

3779-29-1

3779-29-1 Structure

3779-29-1 Structure
IdentificationMore
[Name]

Diethyl 1,1-cyclobutanedicarboxylate
[CAS]

3779-29-1
[Synonyms]

1,1-CYCLOBUTANEDICARBOXYLIC ACID DIETHYL ESTER
1,1-DICARBOETHOXYCYCLOBUTANE
AKOS BBS-00006459
CYCLOBUTANE-1,1-DICARBOXYLIC ACID DIETHYL ESTER
CYCLOBUTANE-1,1-DICARBOXYLIC ACID DIMETHYL ESTER
DIETHYL 1,1-CYCLOBUTANEDICARBOXYLATE
DIETHYL 2,2-TRIMETHYLENEMALONATE
DIETHYL CYCLOBUTANE-1,1-DICARBOXYLATE
[EINECS(EC#)]

223-239-4
[Molecular Formula]

C10H16O4
[MDL Number]

MFCD00019261
[Molecular Weight]

200.23
[MOL File]

3779-29-1.mol
Chemical PropertiesBack Directory
[Boiling point ]

104-105 °C12 mm Hg(lit.)
[density ]

1.05 g/mL at 20 °C(lit.)
[refractive index ]

1.4360
[Fp ]

89°C
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Chloroform, Dichloromethane, Methanol,
[form ]

Oil
[color ]

Colourless
[Specific Gravity]

1.05
[Water Solubility ]

Insoluble in water.
[BRN ]

2050195
[CAS DataBase Reference]

3779-29-1(CAS DataBase Reference)
[NIST Chemistry Reference]

Diethyl 1,1-cyclobutanedicarboxylate(3779-29-1)
[EPA Substance Registry System]

3779-29-1(EPA Substance)
Safety DataBack Directory
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[TSCA ]

Yes
[HS Code ]

38220090
Raw materials And Preparation ProductsBack Directory
[Raw materials]

4-Bromo-1-butene-->DIETHYL (3-CHLOROPROPYL)MALONATE-->1,3-PROPANEDIOL DI-P-TOLUENESULFONATE-->Diethyl malonate
[Preparation Products]

(Bromomethyl)cyclobutane-->Cyclobutanemethanol-->TRIMETHYLENE OXIDE-->Pentane-1,1,5,5-tetracarboxylic acid tetraethyl ester-->1-(hydroxymethyl)Cyclobutanecarboxylic acid-->CYCLOBUTANE-1,1-DICARBOXYLIC ACID ETHYL ESTER-->DIETHYL 3-BROMOPROPYLMALONATE
Hazard InformationBack Directory
[Chemical Properties]

Colourless Oil
[Uses]

Intermediate in the production of Carboplatin
[Preparation]

The preparation of diethyl 1,1-cyclobutanedicarboxylate is as follows:The major product is tetraethy1 1,1,5,5-pentanetetra-carboxylate II with diethyl malonate. To eliminate this side reaction, II was independently prepared by the addition of hydrogen bromide to diethyl allylmalonate (I) and then cyclized to II by treatment with sodium ethylate. The over-all yield from I is about 50%.

QQ截图20221110145508.png

Spectrum DetailBack Directory
[Spectrum Detail]

Diethyl 1,1-cyclobutanedicarboxylate(3779-29-1)MS
Diethyl 1,1-cyclobutanedicarboxylate(3779-29-1)1HNMR
Diethyl 1,1-cyclobutanedicarboxylate(3779-29-1)13CNMR
Diethyl 1,1-cyclobutanedicarboxylate(3779-29-1)IR1
Diethyl 1,1-cyclobutanedicarboxylate(3779-29-1)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

Diethyl 1,1-cyclobutanedicarboxylate, 95%(3779-29-1)
[Sigma Aldrich]

3779-29-1(sigmaaldrich)
[TCI AMERICA]

Diethyl 1,1-Cyclobutanedicarboxylate,>97.0%(GC)(3779-29-1)
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