(3R)-4-(4-Bromophenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butanoic acid

Basic Information

View in Editor

CAS Number

331763-75-8

Molecular Formula

C15H20BrNO4

Molecular Weight

358.23 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

Melting Point

144-146℃

SMILES

View in Editor

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)Br)CC(=O)O

InChI

InChI=1S/C15H20BrNO4/c1-15(2,3)21-14(20)17-12(9-13(18)19)8-10-4-6-11(16)7-5-10/h4-7,12H,8-9H2,1-3H3,(H,17,20)(H,18,19)/t12-/m1/s1

InChIKey

GYXZKHKUVVKDHI-GFCCVEGCSA-N

LogP

3.359600000000002

Topological Polar Surface Area

75.63 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

359

Safety Information

View Safety Information

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

AKOS025146597
EN300-816754
(3R)-4-(4-bromophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
(3R)-4-(4-Bromophenyl)-3-(tert-butoxycarbonylamino)butanoic acid
(3R)-4-(4-bromophenyl)-3-{[(tert-butoxy)carbonyl]amino}butanoic acid
331763-75-8
Boc-(R)-3-amino-4-(4-bromo-phenyl)-butyric acid
DS-7433
(R)-3-Boc-amino-4-(4-bromo-phenyl)-butyric acid
(R)-4-(4-Bromophenyl)-3-((tert-butoxycarbonyl)amino)butanoicacid
CS-0094398
(R)-4-(4-Bromophenyl)-3-((tert-butoxycarbonyl)amino)butanoic acid
boc-(R)-3-amino-4-(4-bromophenyl)butyric acid
(R)-3-(Boc-amino)-4-(4-bromophenyl)butyric acid
(R)-4-(4-bromophenyl)-3-(tert-butoxycarbonylamino)butanoic acid
MFCD01860917
Boc-(R)-3-amino-4-(4-bromophenyl)-butyric acid
SCHEMBL740135
F14001
GYXZKHKUVVKDHI-GFCCVEGCSA-N
Benzenebutanoic acid, 4-bromo-b-[[(1,1-dimethylethoxy)carbonyl]amino]-,(bR)-
Benzenebutanoic acid, 4-bromo-β-[[(1,1-dimethylethoxy)carbonyl]amino]-, (βR)-
BOC-(R)-3-AMINO-4-(4-BROMO-PHENYL)-BUTYRIC ACID
Boc-(R)-3-Amino-4-(4-bromophenyl)-butyric acid
BOC-4-BROMO-D-BETA-HOMOPHENYLALANINE,
Boc-D-β-HomoPhe(4-Br)-OH
Boc-R-3-Amino-4-(4-Br-phenyl)-butyric acid
3-aMino-4-(4-broMophenyl)-5-(tert-butoxy)-5-oxopentanoic acid
BOC-(R)-3-AMINO-4-(4-BROMOPHENYL)BUTANOIC ACID
Boc-(R)-3-Amino-4-(4-bromophenyl)butyricacid
Boc-D-b-HoPhe(4-Br)-OH

MDL Number

MFCD01860917

Customs Code

2924299090

FAQ

What are the physical and chemical properties of (3R)-4-(4-Bromophenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butanoic acid (CAS: 331763-75-8)?

(3R)-4-(4-Bromophenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butanoic acid is a white crystalline solid with a high melting point. Its molecular weight is approximately 414.12 g/mol. It has poor water solubility but good solubility in organic solvents. Chemically, it is reactive, showing moderate reactivity in typical organic reactions such as esterification and amide formation. It is soluble in methanol and dimethylformamide but less so in water.

How is (3R)-4-(4-Bromophenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butanoic acid (CAS: 331763-75-8) typically synthesized?

(3R)-4-(4-Bromophenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butanoic acid is synthesized through a series of steps. Typically, it involves bromination of a phenol, followed by coupling with a protected amino acid derivative. The reaction is performed under mild conditions using a suitable catalyst to ensure high selectivity and yield. The final step involves deprotection, yielding the desired acid.

What industries use (3R)-4-(4-Bromophenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butanoic acid (CAS: 331763-75-8)?

(3R)-4-(4-Bromophenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butanoic acid is utilized in various industries. It finds application in the pharmaceutical industry for the synthesis of novel drugs. In the polymer industry, it can be used as a monomer or additive. It also has potential in the sensor industry for developing new detection methods. Additionally, it may be used in semiconductor manufacturing as a precursor or intermediate.

What precautions should be taken when handling (3R)-4-(4-Bromophenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butanoic acid (CAS: 331763-75-8)?

When handling (3R)-4-(4-Bromophenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butanoic acid (CAS: 331763-75-8), ensure proper personal protective equipment (PPE) such as gloves and goggles is worn. Work should be done in a well-ventilated area or fume hood to minimize inhalation risks. Spills should be cleaned up with appropriate absorbents, followed by proper disposal. Always refer to the Safety Data Sheet (SDS) for specific guidelines and emergency procedures.