D-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

View in Editor

CAS Number

149809-43-8

Molecular Formula

C21H21F2N3O4S

Molecular Weight

449.5 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

Physical State

Powder

Melting Point

105.0 to 109.0 deg-C

Boiling Point

608.1°C at 760 mmHg

Flash Point

321.6±34.3 °C

Refractive Index

1.615

Vapor Pressure

0.0±1.7 mmHg at 25°C

SMILES

View in Editor

CC1=CC=C(C=C1)S(=O)(=O)OCC2CC(OC2)(CN3C=NC=N3)C4=C(C=C(C=C4)F)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-KKSFZXQISA-N

LogP

4.28300

Complexity

701

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

DFWVLCJRFGIRAK-KKSFZXQISA-N
((3S,5R)-5-((1H-1,2,4-triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)methyl-4-methylbenzenesulfonate
D4537
CID 10895629
F16788
[(3S,5R)-5-(2,4-DIFLUOROPHENYL)-5-(1,2,4-TRIAZOL-1-YLMETHYL)OXOLAN-3-YL]METHYL 4-METHYLBENZENESULFONATE
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)-D-threo-pentitol
(3S,5R)-5-(2,4-Difluorophenyl)-5-[(1H-1,2,4-triazol-1-yl)methyl]oxolan-3-ylmethyl p-Toluenesulfonate
((3S,5R)-5-((1H-1,2,4-triazol-1-yl)Methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)Methyl 4-Methylbenzenesulfonate
J-501622
D-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)-
SCHEMBL12067228
AS-47912
UNII-LDY4QZP8PB
(5R-cis)-Toluene-4-sulfonic acid 5-(2,4-difluorophenyl)-5-(1H-1,2,4-triazol-1-yl)methyltetrahydrofuran-3-ylmethyl ester
AC-8330
(5R-cis)-Toluene-4-sulfonic Acid 5-(2,4-Difluorophenyl)-5-[1,2,4]triazol-
D-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)-
p-Toluenesulfonic Acid (3S,5R)-5-(2,4-Difluorophenyl)-5-[(1H-1,2,4-triazol-1-yl)methyl]oxolan-3-ylmethyl Ester
DTXSID70447488
(5-((1H-1,2,4-Triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)methyl 4-methylbenzenesulfonate, (3S,5R)-
1-ylmethyltetrahydrofuran-3-ylmethyl Ester
2,5-Anhydro-1,3,4-trideoxy-2-(2,4-difluorophenyl)-4-{[(4-methylbenzene-1-sulfonyl)oxy]methyl}-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol
149809-43-8
AKOS025402355
{(3S,5R)-5-(2,4-Difluorophenyl)-5-[(1H-1,2,4-triazol-1-yl)methyl]tetrahydrofuran-3-yl}methyl 4-methylbenzenesulfonate
LDY4QZP8PB
(5R-cis)-Toluene-4-sulfonic Acid 5-(2,4-Difluorophenyl)-5-[1,2,4]triazol-1-ylmethyltetrahydrofuran-3
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)-D-threo-pentitol
(5R-cis)-Toluene-4-sulfonic Acid 5-(2,4-Difluorophenyl)-5-[1,2,4]triazol-1-ylmethyltetrahydrofuran-3-ylmethyl Ester
((3S,5R)-5-((1H-1,2,4-triazol-1-yl)methyl)-5-(2,4-difluoro phenyl)tetrahydrofuran-3-yl)methyl 4-methylbenzenesulfonate

MDL Number

MFCD13195567

FAQ

What is D-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: 149809-43-8)?

D-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 complex glycoside derivative with the CAS number 149809-43-8. It contains a sugar-like structure with modifications such as anhydro groups, deoxy substitutions, and functionalized side chains. This compound is known for its potential applications in pharmaceutical and biochemical research due to its unique molecular structure and reactivity.

What are the main uses of D-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: 149809-43-8)?

D-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: 149809-43-8) is primarily used in pharmaceutical research as a building block for the synthesis of various bioactive compounds. It also finds applications in organic chemistry for studying glycosidic linkages and functional group reactivity, and may be used in biochemical studies for its potential to interact with biological targets.

Is D-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: 149809-43-8) safe?

D-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: 149809-43-8) is generally considered safe when handled properly. However, as with many chemical compounds, it should be treated with caution. Protective measures such as gloves, goggles, and a well-ventilated environment are recommended. Safety data sheets (SDS) should be consulted for detailed information on toxicity and handling.

How should D-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: 149809-43-8) be stored?

D-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: 149809-43-8) should be stored in a cool, dry, and dark place, away from moisture and light. It is best kept in a sealed container at a temperature below 25°C. Proper storage helps maintain its chemical stability and prolong its shelf life.