(2R,3S)-2-{[(2R)-2-Acetamido-3-(3-fluorophenyl)propanoyl]amino}-5-methoxy-4-(methoxycarbonyl)-3-methyl-5-oxopentanoic acid

Basic Information

View in Editor

CAS Number

70955-01-0

Molecular Formula

C20H25FN2O8

Molecular Weight

440.42 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

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Water Solubility

Insoluble in cold water, hot water, methanol, diethyl ether, n-octanol and acetone.

SMILES

View in Editor

C[C@H]([C@H](C(=O)O)NC(=O)[C@@H](Cc1cccc(c1)F)NC(=O)C)C(C(=O)OC)C(=O)OC

InChI

InChI=1S/C20H25FN2O8/c1-10(15(19(28)30-3)20(29)31-4)16(18(26)27)23-17(25)14(22-11(2)24)9-12-6-5-7-13(21)8-12/h5-8,10,14-16H,9H2,1-4H3,(H,22,24)(H,23,25)(H,26,27)/t10-,14+,16+/m0/s1

InChIKey

FJUZEZRZKVMAMD-DRZCJDIDSA-N

LogP

0.040600000000000636

Topological Polar Surface Area

148.1 Å²

Hydrogen Bond Donor/Acceptor

3 / 10

Complexity

670

Safety Information

View Safety Information

GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

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

Hazard Class

Class 9 Class 9

Storage Conditions

Sealed in dry,Room Temperature

Stability

Stable. Incompatible with strong acids, strong bases. Hygroscopic.

Hydrolysis Sensitivity

5: forms reversible hydrate

Sensitiveness

Hygroscopic

Synonyms & References

English

Zeolite 4A
Molecular sieves, 4?
Molecular sieve 4A
Molecular sieves,
Molecular sieves, -14+30 beads (Linde 4A)
Molecular sieves, -4+8 beads (Linde 4A)
Molecular sieves, -600 mesh powder (Linde 4A)
Molecular sieves, -8+12 beads (Linde 4A)
Molecular sieves,4A
Molecularsieves4A,4to8mesh500GR
Molecularsieves4A,8to12mesh500GR
Molecularsieves4A,pellets
4A Molecular Sieves
&#039
,beads, 4-8 mesh
,beads, 8-12 mesh
,Molecular sieves, 4 &Aring
16&#039
8&#039
8IN PELLETS
MOLECULAR SIEVE TYPE 4A, 1
Molecular sieves 4A, pellets, 3.2MM diaMeter
MOLECULAR SIEVES PACK 4A
Molecular sieves, 1
Molecular sieves, 4 Å
Molecular sieves, 4A, 0.4-0.8MM (0.02-0.03in) beads
MolecularsievesAmmbeads
MolecularsievesApowderZeoliteA
MolecularsievesbeadsLindeA
pellets (Linde 4A)
SYLOSIV® A4

MDL Number

MFCD00131613

Customs Code

38249099

FAQ

What are the physical and chemical properties of (2R,3S)-2-{[(2R)-2-Acetamido-3-(3-fluorophenyl)propanoyl]amino}-5-methoxy-4-(methoxycarbonyl)-3-methyl-5-oxopentanoic acid (CAS: 70955-01-0)?

(2R,3S)-2-{[(2R)-2-Acetamido-3-(3-fluorophenyl)propanoyl]amino}-5-methoxy-4-(methoxycarbonyl)-3-methyl-5-oxopentanoic acid is a white crystalline powder with a molecular weight of approximately 474.5 g/mol. It has good solubility in organic solvents like methanol and poor solubility in water. This compound exhibits moderate reactivity in acidic and basic conditions, making it susceptible to hydrolysis and other chemical transformations. It forms a stable crystalline form under normal storage conditions.

How is (2R,3S)-2-{[(2R)-2-Acetamido-3-(3-fluorophenyl)propanoyl]amino}-5-methoxy-4-(methoxycarbonyl)-3-methyl-5-oxopentanoic acid (CAS: 70955-01-0) typically synthesized?

(2R,3S)-2-{[(2R)-2-Acetamido-3-(3-fluorophenyl)propanoyl]amino}-5-methoxy-4-(methoxycarbonyl)-3-methyl-5-oxopentanoic acid is synthesized via a multi-step process involving acylation, amidation, and esterification reactions. Commonly, this compound is prepared using reagents such as 3-(3-fluorophenyl)-2-aminopropanoic acid, acetic anhydride, and methanol under controlled conditions. The process yields a product with high purity and selectivity, making it suitable for various applications in fine chemistry.

What industries use (2R,3S)-2-{[(2R)-2-Acetamido-3-(3-fluorophenyl)propanoyl]amino}-5-methoxy-4-(methoxycarbonyl)-3-methyl-5-oxopentanoic acid (CAS: 70955-01-0)?

(2R,3S)-2-{[(2R)-2-Acetamido-3-(3-fluorophenyl)propanoyl]amino}-5-methoxy-4-(methoxycarbonyl)-3-methyl-5-oxopentanoic acid finds applications in various industries, including pharmaceuticals, where it serves as a building block for drug synthesis. It is also used in the development of advanced materials, such as polymers and sensors, due to its unique chemical properties. Additionally, it plays a role in the semiconductor industry for specific functional applications.

What precautions should be taken when handling (2R,3S)-2-{[(2R)-2-Acetamido-3-(3-fluorophenyl)propanoyl]amino}-5-methoxy-4-(methoxycarbonyl)-3-methyl-5-oxopentanoic acid (CAS: 70955-01-0)?

When handling (2R,3S)-2-{[(2R)-2-Acetamido-3-(3-fluorophenyl)propanoyl]amino}-5-methoxy-4-(methoxycarbonyl)-3-methyl-5-oxopentanoic acid, it is crucial to use appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Handling should be performed in a well-ventilated area or a fume hood to avoid inhalation of volatile components. In case of a spill, immediately clean up using appropriate absorbent materials and dispose of the waste in accordance with local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and storage information.