(4S,5R)-2-(4-Methoxyphenyl)-3-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-phenyl-1,3-oxazolidine-5-carboxylic acid

Basic Information

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CAS Number

196404-55-4

Molecular Formula

C22H25NO6

Molecular Weight

399.44 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

Basic Physical Properties

Physical State

Powder

Melting Point

134-138 ºC

Boiling Point

573.8°C at 760 mmHg

Specific Rotation

+34° (c=1 in CHCl3)

SMILES

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O=C(N1C(C2=CC=C(OC)C=C2)O[C@@H](C(O)=O)[C@@H]1C3=CC=CC=C3)OC(C)(C)C

InChI

InChI=1S/C22H25NO6/c1-22(2,3)29-21(26)23-17(14-8-6-5-7-9-14)18(20(24)25)28-19(23)15-10-12-16(27-4)13-11-15/h5-13,17-19H,1-4H3,(H,24,25)/t17-,18+,19?/m0/s1

InChIKey

MSVWUXLRSKRKFZ-PAMZHZACSA-N

LogP

4.155600000000003

Topological Polar Surface Area

85.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 7

Complexity

574

Safety Information

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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

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Synonyms & References

English

(4S,5R)-3-(tert-Butoxycarbonyl)-2-(4-methoxyphenyl)-4-phenyloxazolidine-5-carboxylic acid
(4S,5R)-2-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenyl-1,3-oxazolidine-5-carboxylic acid
(4S,5R)-2-(4-methoxyphenyl)-4-phenyl-3,5-Oxazolidinedicarboxylic acid 3-(1,1-dimethylethyl)ester
(4S,5R)-3-(tert-Butoxycarbonyl)-2-(4-Methoxyphenyl)-4-phenyl-1,3-oxazolidine-5-carboxylic acid
(4S,5R)-3-tert-butoxycarbony-2-(4-anisy)-4-phenyl-5-oxazolidinecarboxylic acid
(4S,5R)-3-tert-Butoxycarbony-2-(4-anisyl)-4-phenyl-5-oxazolidine Carboxylic Acid
(4S5R)-3-tert-butoxycarbony-2-(4-anisyl)--phenyl-5-oxazolidinecarboxylic acid
side chain of docetaxel docetaxel
(2*,4S,5R)-N-tert-butoxycarbonyl-2-(4'-methoxy)phenyl-4-phenyl-1,3-oxazolidine-5-formi
(4S,5R)-N-(t-butyloxycarbonyl)-2-(4-methoxyphenyl)-4-phenyl-5-oxazolidinecarboxylic acid
acide (4S,5R)-N-(tert-butoxycarbonyl)-2-(4-O-methoxyphenyl)-4-phenyl-5-oxazolidine carboxylique
(4S,5R)-2-(4-Methoxyphenyl)-4-phenyl-3,5-oxazolidinedicarboxylic acid 3-tert-butyl ester
side chain of docetaxel
Said chain of Docetaxel
3-tert-Butoxycarbony-2-(4-anisyl)-4-phenyl-5-oxazolidinecarboxylic acid
(4S,5R)-2-(4-Methoxyphenyl)-N-t-boc-4-phenyl-oxazolidine-5-carboxylic acid
(4S,5R)-2-(4-Methoxy-phenyl)-3-N-Boc-4-phenyl-3,5-oxazolidine carboxylic acid
(4S,5R)-3-tert-butoxycarbony-2-(4-anisyl)-4-phenyl-5-oxazolidinercarboxylicacid
(4S,5R)-3-tert-Butoxycarbony-2-(4-anisyl)-4-phenyl-5-oxazolidinecarboxylic acid
(4S,5R)-3-tert-Butoxycarbony-2-(4-anisyl)-4- phenyl-5-oxazolidine carboxylic acid
AX8041420
ST2414361
ST24034051
404B554
(4S,5R)-3-tert-butoxycarbonyl-2-(4-methoxyp

MDL Number

MFCD09837613

Customs Code

2934999090

FAQ

What regulatory guidelines apply to (4S,5R)-2-(4-Methoxyphenyl)-3-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-phenyl-1,3-oxazolidine-5-carboxylic acid (CAS: 196404-55-4)?

The compound (4S,5R)-2-(4-Methoxyphenyl)-3-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-phenyl-1,3-oxazolidine-5-carboxylic acid (CAS: 196404-55-4) falls under the scope of the REACH regulations in the European Union. It also requires adherence to GHS (Global Harmonized System of Classification and Labeling of Chemicals) for hazard classification and labeling. In the United States, the FDA and EPA have specific guidelines for the handling and use of chemicals, which may include this compound. It is important to consult the latest regulatory documents and guidelines for detailed compliance requirements.

Are there alternatives to (4S,5R)-2-(4-Methoxyphenyl)-3-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-phenyl-1,3-oxazolidine-5-carboxylic acid in synthesis?

Alternative reagents and synthetic pathways can be considered for (4S,5R)-2-(4-Methoxyphenyl)-3-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-phenyl-1,3-oxazolidine-5-carboxylic acid (CAS: 196404-55-4). For instance, using different functional groups or precursors can lead to the same structural outcomes. Common alternatives include using various protecting groups, different nucleophiles, or employing asymmetric catalysis. It is recommended to explore analogous compounds or isomers that may offer similar functionalities but with simpler or more versatile synthesis routes.

What is the market or research trend for (4S,5R)-2-(4-Methoxyphenyl)-3-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-phenyl-1,3-oxazolidine-5-carboxylic acid (CAS: 196404-55-4)?

The market and research trends for (4S,5R)-2-(4-Methoxyphenyl)-3-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-phenyl-1,3-oxazolidine-5-carboxylic acid (CAS: 196404-55-4) are primarily driven by its applications in pharmaceuticals and organic synthesis. Recent research focuses on its use as a key intermediate in drug development and its potential as a therapeutic agent. Market trends indicate increasing demand for this compound due to its unique chemical properties and favorable pharmacological profiles. Researchers are also exploring its use in developing new materials and as a platform for chemical modifications.

How should waste containing (4S,5R)-2-(4-Methoxyphenyl)-3-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-phenyl-1,3-oxazolidine-5-carboxylic acid (CAS: 196404-55-4) be handled?

Waste containing (4S,5R)-2-(4-Methoxyphenyl)-3-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-phenyl-1,3-oxazolidine-5-carboxylic acid (CAS: 196404-55-4) should be handled in accordance with local and international waste management regulations. Collection of waste should be done in appropriate containers, labeled with the compound's name and CAS number. Incineration is a common disposal method, but professional waste disposal services should be utilized to ensure compliance with environmental protection laws. Precautions include minimizing the risk of exposure and ensuring the waste is neutralized or treated to prevent environmental contamination. It is crucial to follow the specific disposal guidelines provided by regulatory bodies and waste management authorities.