3-(2-Chlorophenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid

Basic Information

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CAS Number

284493-66-9

Molecular Formula

C14H18ClNO4

Molecular Weight

299.75 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

446.9 °C at 760 mmHg

Density

1.243

Flash Point

224.1 °C

Refractive Index

1.538

SMILES

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CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC=CC=C1Cl

InChI

InChI=1S/C14H18ClNO4/c1-14(2,3)20-13(19)16-11(8-12(17)18)9-6-4-5-7-10(9)15/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)

InChIKey

JBKHFGREKMCWAU-UHFFFAOYSA-N

LogP

3.3805000000000014

Topological Polar Surface Area

75.63 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

354

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

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

AB15240
EN300-316364
Boc-(R)-3-Amino-3-(2-chloro-phenyl)-propionic acid
3-((tert-Butoxycarbonyl)amino)-3-(2-chlorophenyl)propanoic acid
3-tert-Butoxycarbonylamino-3-(2-chloro-phenyl)-propionic acid
3-Boc-amino-3-(2'-chlorophenyl)propionicacid
A5398
3-[(tert-butoxycarbonyl)amino]-3-(2-chlorophenyl)propanoic acid
DTXSID80395845
3-{[(tert-butoxy)carbonyl]amino}-3-(2-chlorophenyl)propanoic acid
7R-0655
3-BOC-AMINO-3-(2-CHLOROPHENYL)PROPIONICACID
SCHEMBL1147244
Boc-(R)-3-Amino-3-(2-chloro-phenyl)-propionicacid
3-tert-Butoxycarbonylamino-3-(2-chlorophenyl)propanoic acid
Q-102249
3-((tert-Butoxycarbonyl)amino)-3-(2-chlorophenyl)propanoicacid
AKOS005101255
CS-0154456
MFCD02090709
boc-3-amino-3-(2-chlorophenyl)-propionic acid
3-Boc-amino-3-(2'-chlorophenyl)propionic acid
3-(2-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid
FT-0700829
284493-66-9
FT-0679889
AB15178
3-tert-Butoxycarbonylamino-3-(2-chlorophenyl)propionic acid
3-[(tert-Butoxycarbonyl)amino]-3-(2-chlorophenyl)propanoic acid
Boc-3-amino-3-(2-chlorophenyl)-propionic acid

MDL Number

MFCD02090709

FAQ

What are the physical and chemical properties of 3-(2-Chlorophenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid (CAS: 284493-66-9)?

3-(2-Chlorophenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid is a crystalline solid with a molecular weight of approximately 313.18 g/mol. It has low water solubility and is moderately soluble in organic solvents. The compound is reactive towards nucleophiles and can undergo esterification and amide formation. It is stable under normal conditions but should be stored in a cool, dark place to prevent degradation.

How is 3-(2-Chlorophenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid (CAS: 284493-66-9) typically synthesized?

3-(2-Chlorophenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid is synthesized via a multi-step process beginning with 2-methyl-2-propanol and 2-chlorophenylamine. Key steps include esterification, amidation, and purification via recrystallization. Commonly, trifluoroacetic acid (TFA) is used as a catalyst to enhance the amidation reaction, yielding a pure product with high selectivity and good yield.

What industries use 3-(2-Chlorophenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid (CAS: 284493-66-9)?

3-(2-Chlorophenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid is primarily used in the pharmaceutical industry for the synthesis of drugs with specific biological activities. It may also have applications in polymer chemistry, where its reactive functional groups can be incorporated into polymer structures, and in sensor technology, due to its ability to form stable complexes with certain metal ions.

What precautions should be taken when handling 3-(2-Chlorophenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid (CAS: 284493-66-9)?

When handling 3-(2-Chlorophenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid, it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood to minimize exposure to volatile fumes. Spills should be cleaned up using appropriate absorbent materials, and the area should be thoroughly washed down. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information and emergency response procedures.