2,5-Anhydro-1,3,4-trideoxy-2-(2,4-difluorophenyl)-4-({[(4-methylphenyl)sulfonyl]oxy}methyl)-1-(1H-1,2,4-triazol-1-yl)-D-erythro-pentitol

Basic Information

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CAS Number

166583-12-6

Molecular Formula

C21H21F2N3O4S

Molecular Weight

449.48 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

Boiling Point

608.1±65.0 °C at 760 mmHg

Flash Point

321.6±34.3 °C

Solubility

Insuluble (3.8E-4 g/L) (25 ºC),

Vapor Pressure

0.0±1.7 mmHg at 25°C

SMILES

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Cc1ccc(cc1)S(=O)(=O)OC[C@@H]1CO[C@](C1)(Cn1ncnc1)c1ccc(cc1F)F

InChI

InChI=1S/C21H21F2N3O4S/c1-15-2-5-18(6-3-15)31(27,28)30-11-16-9-21(29-10-16,12-26-14-24-13-25-26)19-7-4-17(22)8-20(19)23/h2-8,13-14,16H,9-12H2,1H3/t16-,21+/m0/s1

InChIKey

DFWVLCJRFGIRAK-HRAATJIYSA-N

LogP

3.2022200000000023

Topological Polar Surface Area

83.31000000000002 Å²

Hydrogen Bond Donor/Acceptor

0 / 7

Complexity

701

Safety Information

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Hazard Statement

Synonyms & References

English

Posaconazole diastereoisomer intermediate 2
Posaconazole Diastereoisomer Related Compound 2
[(3S,5S)-5-(2,4-DIFLUOROPHENYL)-5-(1,2,4-TRIAZOL-1-YLMETHYL)OXOLAN-3-YL]METHYL 4-METHYLBENZENESULFONATE
D-erythro-Pentitol, 2,5-anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-1-(1H-1,2,4-triazol-1-yl)-
(5R-cis)-Toluene-4-sulfonic acid 5-(2,4-difluorophenyl)-5-(1H-1,2,4-triazol-1-yl)methyltetrahydrofuran-3-ylmethyl ester
BCP08706
Posaconazole Diastereoisomer Related Compound 8
809A438
2,5-Anhydro-1,3,4
posaconazole impurity 15
Posaconazole DiastereoisoMer interMediate 2

FAQ

What are the physical and chemical properties of 2,5-Anhydro-1,3,4-trideoxy-2-(2,4-difluorophenyl)-4-({[(4-methylphenyl)sulfonyl]oxy}methyl)-1-(1H-1,2,4-triazol-1-yl)-D-erythro-pentitol (CAS: 166583-12-6)?

2,5-Anhydro-1,3,4-trideoxy-2-(2,4-difluorophenyl)-4-({[(4-methylphenyl)sulfonyl]oxy}methyl)-1-(1H-1,2,4-triazol-1-yl)-D-erythro-pentitol (CAS: 166583-12-6) is a crystalline compound with a molecular weight of approximately 532.41 g/mol. It has a low solubility in water but is soluble in organic solvents such as ethanol and dichloromethane. The compound is reactive, particularly towards nucleophilic substitution reactions. It can be synthesized with high selectivity and yield using appropriate catalysts and reagents.

How is 2,5-Anhydro-1,3,4-trideoxy-2-(2,4-difluorophenyl)-4-({[(4-methylphenyl)sulfonyl]oxy}methyl)-1-(1H-1,2,4-triazol-1-yl)-D-erythro-pentitol (CAS: 166583-12-6) typically synthesized?

2,5-Anhydro-1,3,4-trideoxy-2-(2,4-difluorophenyl)-4-({[(4-methylphenyl)sulfonyl]oxy}methyl)-1-(1H-1,2,4-triazol-1-yl)-D-erythro-pentitol (CAS: 166583-12-6) is synthesized through a multi-step process involving the protection of the hydroxyl groups, introduction of the 2,4-difluorophenyl moiety, and subsequent coupling with the 1H-1,2,4-triazole derivative. The reaction typically proceeds with high yield and good selectivity under mild conditions, using Lewis acids as catalysts.

What industries use 2,5-Anhydro-1,3,4-trideoxy-2-(2,4-difluorophenyl)-4-({[(4-methylphenyl)sulfonyl]oxy}methyl)-1-(1H-1,2,4-triazol-1-yl)-D-erythro-pentitol (CAS: 166583-12-6)?

2,5-Anhydro-1,3,4-trideoxy-2-(2,4-difluorophenyl)-4-({[(4-methylphenyl)sulfonyl]oxy}methyl)-1-(1H-1,2,4-triazol-1-yl)-D-erythro-pentitol (CAS: 166583-12-6) is primarily used in the pharmaceutical industry for the synthesis of complex organic molecules and as a precursors in the development of new drugs. It also finds applications in the development of sensor technologies and in the production of certain types of polymers.

What precautions should be taken when handling 2,5-Anhydro-1,3,4-trideoxy-2-(2,4-difluorophenyl)-4-({[(4-methylphenyl)sulfonyl]oxy}methyl)-1-(1H-1,2,4-triazol-1-yl)-D-erythro-pentitol (CAS: 166583-12-6)?

When handling 2,5-Anhydro-1,3,4-trideoxy-2-(2,4-difluorophenyl)-4-({[(4-methylphenyl)sulfonyl]oxy}methyl)-1-(1H-1,2,4-triazol-1-yl)-D-erythro-pentitol (CAS: 166583-12-6), it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or under a fume hood to minimize inhalation risks. Spills should be cleaned up immediately using appropriate absorbent materials, and the area should be flushed with water. Always refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.

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2,5-Anhydro-1,3,4-trideoxy-2-(2,4-difluorophenyl)-4-({[(4-methylphenyl)sulfonyl]oxy}methyl)-1-(1H-1,2,4-triazol-1-yl)-D-erythro-pentitol | CAS No. 166583-12-6

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Melting Point

Boiling Point

Flash Point

Solubility

Vapor Pressure

Chemical Properties

SMILES

InChI

InChIKey

LogP

Topological Polar Surface Area

Hydrogen Bond Donor/Acceptor

Complexity

Safety Information

Hazard Statement

Synonyms & References

English

FAQ

What are the physical and chemical properties of 2,5-Anhydro-1,3,4-trideoxy-2-(2,4-difluorophenyl)-4-({[(4-methylphenyl)sulfonyl]oxy}methyl)-1-(1H-1,2,4-triazol-1-yl)-D-erythro-pentitol (CAS: 166583-12-6)?

How is 2,5-Anhydro-1,3,4-trideoxy-2-(2,4-difluorophenyl)-4-({[(4-methylphenyl)sulfonyl]oxy}methyl)-1-(1H-1,2,4-triazol-1-yl)-D-erythro-pentitol (CAS: 166583-12-6) typically synthesized?

What industries use 2,5-Anhydro-1,3,4-trideoxy-2-(2,4-difluorophenyl)-4-({[(4-methylphenyl)sulfonyl]oxy}methyl)-1-(1H-1,2,4-triazol-1-yl)-D-erythro-pentitol (CAS: 166583-12-6)?

What precautions should be taken when handling 2,5-Anhydro-1,3,4-trideoxy-2-(2,4-difluorophenyl)-4-({[(4-methylphenyl)sulfonyl]oxy}methyl)-1-(1H-1,2,4-triazol-1-yl)-D-erythro-pentitol (CAS: 166583-12-6)?

Related Compounds

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