(1R,8R)-7,7-Dichloro-11,11-dimethyl-5-oxa-3-thia-4-azatetracyclo[6.2.1.0~1,6~.0~4,6~]undecane 3,3-dioxide

Basic Information

View in Editor

CAS Number

139628-16-3

Molecular Formula

C10H13Cl2NO3S

Molecular Weight

298.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

181-186 °C

Boiling Point

390.5±52.0 °C at 760 mmHg

Density

1.68±0.1 g/cm3 (20 ºC 760 Torr),

Flash Point

189.9±30.7 °C

Refractive Index

1.647

Vapor Pressure

0.0±0.9 mmHg at 25°C

SMILES

View in Editor

CC1(C2CCC13CS(=O)(=O)N4C3(C2(Cl)Cl)O4)C

InChI

InChI=1S/C10H13Cl2NO3S/c1-7(2)6-3-4-8(7)5-17(14,15)13-10(8,16-13)9(6,11)12/h6H,3-5H2,1-2H3/t6-,8-,10?,13?/m1/s1

InChIKey

HAMBQYFZDBYWHU-VUKVJFTISA-N

LogP

1.8834000000000002

Topological Polar Surface Area

49.68 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

540

Synonyms & References

English

MFCD17214220
E85410
(-)-(8,8-Dichlorocamphorylsulfonyl)oxaziridine
(1R,6S,8R)-7,7-DICHLORO-11,11-DIMETHYL-5-OXA-3??-THIA-4-AZATETRACYCLO[6.2.1.0(1),?.0?,?]UNDECANE-3,3-DIONE
(4aR,7R,8aS)-8,8-Dichloro-9,9-dimethyltetrahydro-4a,7-methano-3lambda~6~-oxazireno[3,2-i][2,1]benzothiazole-3,3(4H)-dione
139628-16-3
DTXSID00452762
(4aR,7R,8aS)-8,8-Dichloro-9,9-dimethyltetrahydro-4H-4a,7-methanobenzo[c][1,2]oxazireno[2,3-b]isothiazole3,3-dioxide
J-100094
(1R,6S,8R)-7,7-Dichloro-11,11-dimethyl-5-oxa-3lambda6-thia-4-azatetracyclo[6.2.1.01,6.04,6]undecane 3,3-dioxide
(-)-(8,8-Dichlorocamphorylsulfonyl)oxaziridine, >=95.0% (T)
(1R,6S,8R)-7,7-dichloro-11,11-dimethyl-5-oxa-3??-thia-4-azatetracyclo[6.2.1.0?,?.0?,?]undecane-3,3-dione
(4aR,7R,8aS)-8,8-Dichloro-9,9-dimethyltetrahydro-4H-4a,7-methanobenzo[c][1,2]oxazireno[2,3-b]isothiazole 3,3-dioxide
AS-75047
AKOS022180929
4H-4a,7-Methanooxazirino[3,2-i][2,1]benzisothiazole, 8,8-dichlorotetrahydro-9,9-dimethyl-, 3,3-dioxide, (4aR,7R,8aS)-
(-)-(8,8-Dichlorocamphorylsulfonyl) oxaziridine
(-)-[(8,8-Dichlorocamphoryl)sulfonyl]oxaziridine
4H-4a,7-Methanooxazirino[3,2-i][2,1]benzisothiazole,8,8-dichlorotetrahydro-9,9-dimethyl-, 3,3-...
4H-4a,7-Methanooxazirino[3,2-i][2,1]benzisothiazole,8,8-dichlorotetrahydro-9,9-dimethyl-, 3,3-dioxide, (4aR,7R,8aS)-
(-)-3,3-Dichloro-2,N-epoxy-exo-10,2-bornanesultam
(?)-(8,8-DichlorocaMphorylsulfonyl)oxaziridine

MDL Number

MFCD17214220

FAQ

What are the physical and chemical properties of (1R,8R)-7,7-Dichloro-11,11-dimethyl-5-oxa-3-thia-4-azatetracyclo[6.2.1.0~1,6~.0~4,6~]undecane 3,3-dioxide (CAS: 139628-16-3)?

The compound is a crystalline solid with a molecular weight of approximately 366.04 g/mol. Its solubility in water is low, with limited data available. It exhibits high reactivity towards nucleophiles and can undergo ring-opening reactions. The compound is also susceptible to hydrolysis in the presence of moisture and acidic or basic conditions.

How is (1R,8R)-7,7-Dichloro-11,11-dimethyl-5-oxa-3-thia-4-azatetracyclo[6.2.1.0~1,6~.0~4,6~]undecane 3,3-dioxide (CAS: 139628-16-3) typically synthesized?

The compound is synthesized through a multi-step process that involves organocatalytic reactions, typically using organocatalysts such as imidazolium salts. The synthesis involves the formation of an intermediate, followed by ring closure and oxidation steps. The overall yield is moderate, with selectivity towards the desired stereochemistry being a key challenge.

What industries use (1R,8R)-7,7-Dichloro-11,11-dimethyl-5-oxa-3-thia-4-azatetracyclo[6.2.1.0~1,6~.0~4,6~]undecane 3,3-dioxide (CAS: 139628-16-3)?

This compound is primarily used in the pharmaceutical industry for the development of novel drugs due to its unique chemical structure. It may also have applications in the polymer industry for the synthesis of special polymers with specific properties, and in the chemical sensor industry for the development of sensors with enhanced selectivity towards specific analytes.

What precautions should be taken when handling (1R,8R)-7,7-Dichloro-11,11-dimethyl-5-oxa-3-thia-4-azatetracyclo[6.2.1.0~1,6~.0~4,6~]undecane 3,3-dioxide (CAS: 139628-16-3)?

Handling this compound requires the use of appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be stored in a cool, dry place away from moisture and heat sources. Fume hoods should be used during synthesis and handling to minimize exposure to vapors. In case of a spill, it is essential to clean up using appropriate materials and follow safety data sheet (SDS) guidelines for disposal.