[(2,3,4,6-Tetra-O-acetyl-beta-D-galactopyranosyl)thio]acetonitrile

Basic Information

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CAS Number

61145-33-3

Molecular Formula

C16H21NO9S

Molecular Weight

17.03 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 Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

95-97

SMILES

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CC(=O)OCC1C(C(C(C(O1)SCC#N)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C16H21NO9S/c1-8(18)22-7-12-13(23-9(2)19)14(24-10(3)20)15(25-11(4)21)16(26-12)27-6-5-17/h12-16H,6-7H2,1-4H3/t12-,13+,14+,15-,16+/m1/s1

InChIKey

ZNQCXCWNORCJGV-CWVYHPPDSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

629

Safety Information

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Stability

Store in Freezer

Synonyms & References

English

Cyanomethyl 2,3,4,6-tetra-O-acetyl-1-thio-beta-D-galactopyranoside
CS-0205233
A-D-thiogalactopyranoside
W-203283
AS-72153
(2R,3S,4S,5R,6S)-2-(acetoxymethyl)-6-(cyanomethylthio)tetrahydro-2H-pyran-3,4,5-triyl triacetate
ZNQCXCWNORCJGV-CWVYHPPDSA-N
Cyanomethyl 2,3,4,6-Tetra-O-acetyl-1-thio-ss-D-galactopyranoside
Cyanomethyl2,3,4,6-tetra-O-acetyl-
E86931
[(2R,3S,4S,5R,6S)-3,4,5-TRIS(ACETYLOXY)-6-[(CYANOMETHYL)SULFANYL]OXAN-2-YL]METHYL ACETATE
61145-33-3
Cyanomethyl 2,3,4,6-tetra-O-acetyl-b-D-thiogalactopyranoside
MFCD00057536
(2R,3S,4S,5R,6S)-2-(Acetoxymethyl)-6-((cyanomethyl)thio)tetrahydro-2H-pyran-3,4,5-triyl triacetate
AKOS022179223
SCHEMBL1140693
Cyanomethyl 2,3,4,6-Tetra-O-acetyl-1-thio-?-D-galactopyranoside
Cyanomethyl 2,3,4,6-Tetra-O-acetyl-1-thio-ß-D-galactopyranoside
Cyanomethyl 2,3,4,6-tetra-O-acetyl-1-thio-β-D-galactopyranoside
[3,4,5-triacetyloxy-6-(cyanomethylsulfanyl)oxan-2-yl]methyl acetate

MDL Number

MFCD00057536

FAQ

What are the physical and chemical properties of [(2,3,4,6-Tetra-O-acetyl-beta-D-galactopyranosyl)thio]acetonitrile (CAS: 61145-33-3)?

The compound [(2,3,4,6-Tetra-O-acetyl-beta-D-galactopyranosyl)thio]acetonitrile is a white crystalline solid with a molecular weight of approximately 576.5 g/mol. It has limited water solubility and is soluble in organic solvents such as acetonitrile, methanol, and dimethyl sulfoxide. It is not highly reactive under normal conditions but can undergo hydrolysis under acidic or basic conditions.

How is [(2,3,4,6-Tetra-O-acetyl-beta-D-galactopyranosyl)thio]acetonitrile (CAS: 61145-33-3) typically synthesized?

[(2,3,4,6-Tetra-O-acetyl-beta-D-galactopyranosyl)thio]acetonitrile is synthesized through a multi-step process involving the acetylation of galactopyranosyl thioacetonitrile followed by the introduction of the galactopyranosyl moiety. This process typically involves the use of acetic anhydride and a catalytic amount of acid or base. The yield and selectivity of the reaction can be controlled by optimizing reaction conditions.

What industries use [(2,3,4,6-Tetra-O-acetyl-beta-D-galactopyranosyl)thio]acetonitrile (CAS: 61145-33-3)?

[(2,3,4,6-Tetra-O-acetyl-beta-D-galactopyranosyl)thio]acetonitrile is used in the pharmaceutical industry for the synthesis of certain drugs and in the polymer industry for the modification of polymer chains. It may also be used in sensor and semiconductor industries for specific applications requiring its functional groups.

What precautions should be taken when handling [(2,3,4,6-Tetra-O-acetyl-beta-D-galactopyranosyl)thio]acetonitrile (CAS: 61145-33-3)?

When handling [(2,3,4,6-Tetra-O-acetyl-beta-D-galactopyranosyl)thio]acetonitrile, it is important to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. The substance should be stored in a cool, dry place away from sources of heat and moisture. Spills should be cleaned up carefully using appropriate methods and materials. Always refer to the Material Safety Data Sheet (MSDS) for specific handling and disposal guidelines.