Diisopropyl 1,3-dithiolan-2-ylidenemalonate

Basic Information

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CAS Number

50512-35-1

Molecular Formula

C12H18O4S2

Molecular Weight

290.41 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

50-58°C

Boiling Point

402.48°C (rough estimate)

Flash Point

159 °C

Refractive Index

1.4950 (estimate)

SMILES

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CC(C)OC(=O)C(=C1SCCS1)C(=O)OC(C)C

InChI

InChI=1S/C12H18O4S2/c1-7(2)15-10(13)9(11(14)16-8(3)4)12-17-5-6-18-12/h7-8H,5-6H2,1-4H3

InChIKey

UFHLMYOGRXOCSL-UHFFFAOYSA-N

LogP

2.581200000000001

Topological Polar Surface Area

52.6 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

329

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Sensitiveness

light-sensitive

Synonyms & References

English

SCHEMBL71267
Isoprothiolane 10 microg/mL in Cyclohexane
AS-15491
Di-isopropyl 1,3-dithiolane-2-ylidenemalonate
Bis(1-methylethyl) 1,3-dithiolan-2-ylidenepropanedioate, 9CI
dipropan-2-yl 2-(1,3-dithiolan-2-ylidene)propanedioate
1,3-bis(propan-2-yl) 2-(1,3-dithiolan-2-ylidene)propanedioate
PROPANEDIOIC ACID, 2-(1,3-DITHIOLAN-2-YLIDENE)-, BIS(1-METHYLETHYL) ESTER
2-(1,3-dithiolan-2-ylidene)propanedioic acid dipropan-2-yl ester
BRN 2128528
Fuji-one; IPT;NKK 100; NNF 109
NNF-109
A12577
Isoprothiolane 1000 microg/mL in Acetone
AKOS015898851
A828146
Diisopropyl 2-(1,3-dithiolan-2-ylidene)malonate #
MFCD00210314
NKK 100
88HCS898G6
CS-0013924
Isoprothiolane 10 microg/mL in Acetonitrile
IPT (pesticide)
bis(1-methylethyl) 1,3-dithiolan-2-ylidenepropanedioate
di(propan-2-yl) 1,3-dithiolan-2-ylidenemalonate
1,3-Dithiolan-2-ylidenepropanedioic acid, bis(1-methylethyl) ester
HY-B1858
NS00001248
Fujione
SS 11946
Diisopropyl 2-(1,3-dithiolan-2-ylidene)malonate

MDL Number

MFCD00210314

Customs Code

2934100018

FAQ

What are the physical and chemical properties of Diisopropyl 1,3-dithiolan-2-ylidenemalonate (CAS: 50512-35-1)?

Diisopropyl 1,3-dithiolan-2-ylidenemalonate is a crystalline solid with a molecular weight of approximately 306.45 g/mol. It is slightly soluble in organic solvents like dichloromethane and acetone but insoluble in water. This compound is known for its reactivity towards nucleophiles and can undergo various chemical transformations under appropriate conditions.

How is Diisopropyl 1,3-dithiolan-2-ylidenemalonate (CAS: 50512-35-1) typically synthesized?

Diisopropyl 1,3-dithiolan-2-ylidenemalonate is synthesized by the condensation of 1,3-dithiolane-2-thione with malonoyl chloride in the presence of a Lewis acid catalyst, such as aluminum trichloride. The reaction typically yields a mixture of diastereomers with good selectivity and moderate to high yields.

What industries use Diisopropyl 1,3-dithiolan-2-ylidenemalonate (CAS: 50512-35-1)?

Diisopropyl 1,3-dithiolan-2-ylidenemalonate finds applications in the pharmaceutical industry for the synthesis of certain drugs, in the polymer industry for the modification of polymer properties, and in the semiconductor industry for the preparation of organic thin film transistors (OTFTs). It is also used in the development of chemical sensors due to its unique reactivity.

What precautions should be taken when handling Diisopropyl 1,3-dithiolan-2-ylidenemalonate (CAS: 50512-35-1)?

When handling Diisopropyl 1,3-dithiolan-2-ylidenemalonate, it is essential to use proper personal protective equipment (PPE) including gloves, goggles, and lab coats. The compound should be handled in a well-ventilated fume hood to avoid inhalation. In case of a spill, it should be cleaned up using appropriate absorbents and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed safety information.