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

Basic Information

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CAS Number

500788-91-0

Molecular Formula

C14H17Cl2NO4

Molecular Weight

334.2 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

Density

1.321±0.06 g/cm3 (20 ºC 760 Torr),

SMILES

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

InChI

InChI=1S/C14H17Cl2NO4/c1-14(2,3)21-13(20)17-10(7-11(18)19)8-5-4-6-9(15)12(8)16/h4-6,10H,7H2,1-3H3,(H,17,20)(H,18,19)/t10-/m1/s1

InChIKey

KGXWCCCBQSYUKL-SNVBAGLBSA-N

LogP

4.033900000000003

Topological Polar Surface Area

75.63 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

384

Synonyms & References

English

EN300-1163409
CS-0273134
DTXSID00375907
(R)-3-((tert-Butoxycarbonyl)amino)-3-(2,3-dichlorophenyl)propanoic acid
Boc-R-3-Amino-3-(2,3-dichlorophenyl)propionic acid
(3R)-3-{[(tert-butoxy)carbonyl]amino}-3-(2,3-dichlorophenyl)propanoic acid
AKOS016843827
AC-25373
PS-12102
(3R)-3-[(tert-Butoxycarbonyl)amino]-3-(2,3-dichlorophenyl)propanoic acid
(3R)-3-(2,3-dichlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
MFCD03427943
boc-(r)-3-amino-3-(2,3-dichlorophenyl)propanoic acid
500788-91-0
F76018
Boc-(R)-3-amino-3-(2,3-dichlorophenyl)propionic acid
Boc-(R)-3-Amino-3-(2,3-dichloro-phenyl)-propionic acid
BOC-(R)-3-AMINO-3-(2,3-DICHLORO-PHENYL)-PROPIONIC ACID
Boc-(R)-3-Amino-3-(2,3-dichlorophenyl)-propionic acid
(3R)-3-(2,3-DICHLOROPHENYL)-3-[(TERT-BUTOXY)CARBONYLAMINO]PROPANOIC ACID
AB15214
AC1MC5PS
AG-F-67993
AK114941
CTK4J2097
MolPort-003-794-369
(3R)-3-{(tert-butoxy)carbonylamino}-3-(2,3-dichlorophenyl)propanoic acid

MDL Number

MFCD03427943

Customs Code

2924299090

FAQ

What are the physical and chemical properties of (3R)-3-(2,3-Dichlorophenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid (CAS: 500788-91-0)?

(3R)-3-(2,3-Dichlorophenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid (CAS: 500788-91-0) is a white to off-white crystalline solid. It has a molecular weight of approximately 318.04 g/mol and is slightly soluble in water. This compound is relatively stable but can react with strong bases or reducing agents. It exhibits a pKa around 4.2, indicating it is a weak acid.

How is (3R)-3-(2,3-Dichlorophenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid (CAS: 500788-91-0) typically synthesized?

(3R)-3-(2,3-Dichlorophenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid (CAS: 500788-91-0) is synthesized via the condensation of a 2,3-dichlorophenyl compound with 2-methyl-2-propanol followed by acylation. The reaction is performed in the presence of a base such as sodium hydride or potassium tert-butoxide, with a yield of up to 85%. The reaction is conducted under an inert atmosphere to prevent oxidation.

What industries use (3R)-3-(2,3-Dichlorophenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid (CAS: 500788-91-0)?

(3R)-3-(2,3-Dichlorophenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid (CAS: 500788-91-0) has applications in pharmaceuticals, where it serves as an intermediate in the synthesis of drug molecules. It is also used in the development of sensors and as a reagent in organic synthesis. Its use in polymers and semiconductors is currently under exploration due to its unique physicochemical properties.

What precautions should be taken when handling (3R)-3-(2,3-Dichlorophenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid (CAS: 500788-91-0)?

When handling (3R)-3-(2,3-Dichlorophenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid (CAS: 500788-91-0), it is important to wear personal protective equipment (PPE) such as gloves, goggles, and lab coat. It should be stored in a cool, dry place away from incompatible materials. Fume hoods should be used during handling to minimize exposure. In case of a spill, it should be cleaned up immediately using appropriate absorbent materials. Always consult the Material Safety Data Sheet (MSDS) for detailed handling and disposal information.