L-threo-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)- | CAS No. 149809-42-7

L-threo-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)-

Basic Information

CAS Number

149809-42-7

Molecular Formula

C21H21F2N3O4S

Molecular Weight

449.48 g/mol

AD

Basic Physical Properties

Melting Point

NA

Boiling Point

608.1±65.0 °C(Predicted)

Density

1.40±0.1 g/cm3(Predicted)

Flash Point

321.6±34.3 °C

Vapor Pressure

0.0±1.7 mmHg at 25°C

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-/m1/s1

InChIKey

DFWVLCJRFGIRAK-IIBYNOLFSA-N

LogP

3.2022200000000023

pKa

2.75±0.10(Predicted)

Topological Polar Surface Area

83.31000000000002 Ų

Hydrogen Bond Donor/Acceptor

0 / 7

Complexity

701

Safety Information

View Safety Information

Hazard Statement

Synonyms & References

English

  • Posaconazole DiastereoisoMer interMediate 5
  • L-threo-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)-
  • Posaconazole Diastereoisomer Related Compound 5
  • Posacozole Diastereoisomer Related Compound 5
  • ((3R,5S)-5-((1H-1,2,4-triazol-1-yl)methyl)-
  • 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)-L-threo-pentitol
  • Posaconazole diastereoisomer intermediate 5
  • L-threo-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)-
  • [(3R,5S)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methyl 4-methylbenzenesulfonate
  • p-Toluenesulfonic acid [5-(2,4-difluorophenyl)-5alpha-(1H-1,2,4-triazol-1-ylmethyl)tetrahydrofuran]-3alpha-ylmethyl ester
  • CID 11762142
  • posaconazole impurity 17
  • 2,5-Anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-(4-methylphenyl)sulfonyloxymethyl-1-(1H-1,2,4-triazol-1-yl)-L-threo-pentitol

FAQ

What are the physical and chemical properties of L-threo-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) (CAS: 149809-42-7)?

L-threo-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) is a crystalline compound with a molecular weight of approximately 542.47 g/mol. It has low solubility in water and moderate solubility in organic solvents. This compound exhibits high reactivity towards nucleophiles and electrophiles, making it useful in various synthetic reactions.

How is L-threo-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) (CAS: 149809-42-7) typically synthesized?

This compound is typically synthesized through a multi-step process involving the condensation of 2,4-difluorophenyl-sulfonyl chloride with a 1,3,4-trideoxy sugar derivative, followed by the introduction of the 1-(1H-1,2,4-triazol-1-yl) group. The reaction is catalyzed by a suitable acid or base, and the yield and selectivity can be improved by carefully controlling the reaction conditions.

What industries use L-threo-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) (CAS: 149809-42-7)?

This compound is primarily used in pharmaceutical and sensor industries. It serves as a novel building block for the synthesis of complex molecules and has potential applications in developing new drugs and sensors due to its unique chemical properties.

What precautions should be taken when handling L-threo-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) (CAS: 149809-42-7)?

When handling this compound, it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. The reactions involving this compound should be performed in a well-ventilated fume hood to avoid inhalation. In the event of a spill, handle it immediately using appropriate spill cleanup procedures and refer to the Material Safety Data Sheet (MSDS) for detailed instructions.

Related Compounds

You might also like

Compound Q&A

What is 6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one (CAS: 21889-89-4)?

6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one is a cyclic ketone with a molecular for...

21889-89-46-Methyl-7-oxabicycl...
Compound Q&A

What is 4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid (CAS: 906353-00-2)?

4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid is a chemical compound with the CAS nu...

906353-00-24-[(6-Methyl-2-pyraz...
Compound Q&A

What is 2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8)?

2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8) is a colorless to slightly yel...

49745-42-82-(2-Pyridinyl)-1,3-...
Compound Q&A

What is 2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile (CAS: 24783-42-4)?

2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile is an organic compound with the CA...

24783-42-42-(6-Chloro-2-pyridi...
Compound Q&A

What is 2-Oxopropanamide (CAS: 631-66-3)?

2-Oxopropanamide, also known as 2-aminoacrylic acid, is a chemical compound with...

631-66-32-Oxopropanamide
Compound Q&A

What is 2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CAS: 1289040-88-5)?

2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CA...

1289040-88-52-Methyl-2-propanyl ...
Compound Q&A

What is NAMPT inhibitor-linker 1 (CAS: 2241019-57-6)?

NAMPT inhibitor-linker 1 (CAS: 2241019-57-6) is a chemical compound designed as ...

2241019-57-6NAMPT inhibitor-link...
Compound Q&A

What is (2-(2,2,2-Trifluoroacetyl)pyridin-4-yl)boronic acid (CAS: 1310404-58-0)?

It is a chemical compound with the structure (2-(2,2,2-Trifluoroacetyl)pyridin-4...

1310404-58-0(2-(2,2,2-Trifluoroa...
Compound Q&A

What is 1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (CAS: 794568-90-4)?

1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,...

794568-90-41-(2-Chlorophenyl)-6...
Compound Q&A

What is Vinyl(chloromethyl)dimethoxysilane (CAS: 1314981-48-0)?

Vinyl(chloromethyl)dimethoxysilane is an organosilicon compound with the molecul...

1314981-48-0Vinyl(chloromethyl)d...