Methyl 3,5-bis-O-(4-chlorobenzoyl)-2-deoxy-D-erythro-pentofuranoside

Basic Information

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CAS Number

99886-53-0

Molecular Formula

C20H18Cl2O6

Molecular Weight

441.26 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Density

1.39±0.1 g/cm3 (20 ºC 760 Torr),

Solubility

Insuluble (2.4E-3 g/L) (25 ºC),

SMILES

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COC(=O)CC(C(C(C(=O)C1=CC=C(C=C1)Cl)O)O)(C(=O)C2=CC=C(C=C2)Cl)O

InChI

InChI=1S/C20H18Cl2O6/c1-25-18-10-16(28-20(24)13-4-8-15(22)9-5-13)17(27-18)11-26-19(23)12-2-6-14(21)7-3-12/h2-9,16-18H,10-11H2,1H3/t16-,17+,18?/m0/s1

InChIKey

RDJPJXIHFSQOKW-MYFVLZFPSA-N

LogP

2.0750000000000015

Topological Polar Surface Area

121.13000000000001 Å²

Hydrogen Bond Donor/Acceptor

3 / 7

Complexity

598

Synonyms & References

English

DTXSID80743882
D-erythro-Pentofuranoside, methyl 2-deoxy-, bis(p-chlorobenzoate) (7CI); Methyl 3,5-bis-O-(p-chlorobenzoyl)-2-deoxy-D-ribofuranoside
(3S,4R)-Methyl3-(4-chlorobenzoyl)-6-(4-chlorophenyl)-3,4,5-trihydroxy-6-oxohexanoate
(3S,4R)-Methyl 3-(4-chlorobenzoyl)-6-(4-chlorophenyl)-3,4,5-trihydroxy-6-oxohexanoate
99886-53-0
AKOS016007836
1-Me-3,5-O-bis(p-cl-bz)- 2-deoxy-D-ribofuranoside
Methyl (2xi)-4-C-(4-chlorobenzoyl)-1-(4-chlorophenyl)-5-deoxy-L-erythro-hexuronate
methyl (3S,4R)-3-(4-chlorobenzoyl)-6-(4-chlorophenyl)-3,4,5-trihydroxy-6-oxohexanoate
A858411
METHYL 1-METHYL-2-SULFANYL-1H-IMIDAZOLE-5-CARBOXYLATE
Methyl 3,5-O-bis(p-chlorobenzoyl)-2-deoxy-D-ribofuranoside
X7266

MDL Number

MFCD12197317

FAQ

What are the physical and chemical properties of Methyl 3,5-bis-O-(4-chlorobenzoyl)-2-deoxy-D-erythro-pentofuranoside (CAS: 99886-53-0)?

Methyl 3,5-bis-O-(4-chlorobenzoyl)-2-deoxy-D-erythro-pentofuranoside is a crystalline compound with a molecular weight of approximately 527.31 g/mol. It has a high solubility in organic solvents such as dichloromethane and acetone. The compound is relatively stable under normal conditions but is susceptible to hydrolysis in basic solutions. It exhibits limited reactivity with common nucleophiles and electrophiles.

How is Methyl 3,5-bis-O-(4-chlorobenzoyl)-2-deoxy-D-erythro-pentofuranoside (CAS: 99886-53-0) typically synthesized?

Methyl 3,5-bis-O-(4-chlorobenzoyl)-2-deoxy-D-erythro-pentofuranoside can be synthesized through a multi-step process involving acylation and condensation reactions. The synthesis typically involves the coupling of 4-chlorobenzoyl chloride with 2-deoxy-D-erythro-pentofuranoside in the presence of an appropriate base and solvent. The overall yield is around 70-75%, depending on the purity of the starting materials and the efficiency of the purification steps.

What industries use Methyl 3,5-bis-O-(4-chlorobenzoyl)-2-deoxy-D-erythro-pentofuranoside (CAS: 99886-53-0)?

Methyl 3,5-bis-O-(4-chlorobenzoyl)-2-deoxy-D-erythro-pentofuranoside is used in the pharmaceutical industry for the synthesis of certain intermediates and active pharmaceutical ingredients. It is also of interest in the research of new polymers and sensors due to its specific functional groups. The compound’s unique structure makes it useful for exploring novel applications in materials science and drug discovery.

What precautions should be taken when handling Methyl 3,5-bis-O-(4-chlorobenzoyl)-2-deoxy-D-erythro-pentofuranoside (CAS: 99886-53-0)?

Proper handling of Methyl 3,5-bis-O-(4-chlorobenzoyl)-2-deoxy-D-erythro-pentofuranoside requires the use of personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be stored in a cool, dry place away from direct sunlight and flammable materials. In case of a spill, it is recommended to use absorbent materials and dispose of any contaminated waste according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.