1-Deoxy-1-[methyl(octanoyl)amino]-D-glucitol

Basic Information

View in Editor

CAS Number

85316-98-9

Molecular Formula

C15H31NO6

Molecular Weight

321.41 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

80-90℃

Boiling Point

581.8±50.0 °C at 760 mmHg

Water Solubility

Soluble in water (10%).

Flash Point

305.6±30.1 °C

SMILES

View in Editor

O[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)CN(C(CCCCCCC)=O)C

InChI

InChI=1S/C15H31NO6/c1-3-4-5-6-7-8-13(20)16(2)9-11(18)14(21)15(22)12(19)10-17/h11-12,14-15,17-19,21-22H,3-10H2,1-2H3/t11-,12+,14+,15+/m0/s1

InChIKey

SBWGZAXBCCNRTM-CTHBEMJXSA-N

LogP

-0.758799999999997

Topological Polar Surface Area

121.46000000000001 Å²

Hydrogen Bond Donor/Acceptor

5 / 7

Complexity

302

Synonyms & References

English

N-Octanoyl-N-methylglucamine
1-Deoxy-1-(N-methyloctanamido)-D-glucitol
Mega-8
Octane
OMEGA
MEGA-8

MDL Number

MFCD00134152

FAQ

What are the physical and chemical properties of 1-Deoxy-1-[methyl(octanoyl)amino]-D-glucitol (CAS: 85316-98-9)?

1-Deoxy-1-[methyl(octanoyl)amino]-D-glucitol is a white crystalline solid with a molecular weight of approximately 376.45 g/mol. It is poorly soluble in water but soluble in organic solvents like dimethyl sulfoxide (DMSO). The compound is highly reactive, showing potential for nucleophilic substitution and condensation reactions due to the presence of amino and hydroxyl functionalities.

How is 1-Deoxy-1-[methyl(octanoyl)amino]-D-glucitol (CAS: 85316-98-9) typically synthesized?

1-Deoxy-1-[methyl(octanoyl)amino]-D-glucitol is usually synthesized via a multi-step process starting with D-glucitol. Key steps involve methylation followed by acylation with octanoic acid. The synthesis often uses Lewis acids as catalysts and involves protecting group strategies to control the reaction pathways. Yields typically range from 70-85%, depending on optimization.

What industries use 1-Deoxy-1-[methyl(octanoyl)amino]-D-glucitol (CAS: 85316-98-9)?

1-Deoxy-1-[methyl(octanoyl)amino]-D-glucitol finds applications in the pharmaceutical industry, particularly in the development of novel drugs and as a chiral auxiliary. It is also used in polymer synthesis for creating biodegradable materials and in the production of sensors and semiconductors where its functional groups are exploited for their reactivity and specific binding properties.

What precautions should be taken when handling 1-Deoxy-1-[methyl(octanoyl)amino]-D-glucitol (CAS: 85316-98-9)?

Handling 1-Deoxy-1-[methyl(octanoyl)amino]-D-glucitol requires wearing appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood. Spills should be cleaned up immediately with caution, as the compound can be reactive. Always refer to the Safety Data Sheet (SDS) for detailed emergency procedures and storage information.