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

Basic Information

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CAS Number

261380-20-5

Molecular Formula

C14H18BrNO4

Molecular Weight

344.21 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

Physical State

White to Yellow Solid

Melting Point

143-145 °C

Boiling Point

479.1±40.0 °C at 760 mmHg

Flash Point

243.6±27.3 °C

Refractive Index

1.6500 (estimate)

SMILES

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

InChI

InChI=1S/C14H18BrNO4/c1-14(2,3)20-13(19)16-11(8-12(17)18)9-4-6-10(15)7-5-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m1/s1

InChIKey

ZAMLGGRVTAXBHI-LLVKDONJSA-N

LogP

3.489600000000001

Topological Polar Surface Area

75.63 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

346

Safety Information

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Hazard Statement

H303 May be harmful if swallowed
Acute toxicity, oral

H313 May be harmful in contact with skin
Acute toxicity, dermal

H333 May be harmful if inhaled
Acute toxicity, inhalation

Synonyms & References

English

AS-36289
Boc-(R)-3-Amino-3-(4-bromo-phenyl)-propionic acid
MFCD01320860
EN300-1071073
DTXSID60426540
(R)-3-(Boc-amino)-3-(4-bromophenyl)propionic acid
(3R)-3-(4-bromophenyl)-3-{[(tert-butoxy)carbonyl]amino}propanoic acid
(R)-3-(4-BROMO-PHENYL)-3-TERT-BUTOXYCARBONYLAMINO-PROPIONIC ACID
CS-W016751
(R)-Boc-4-bromo-beta-Phe-OH, >=98.0% (HPLC)
BENZENEPROPANOIC ACID, 4-BROMO-BETA-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-, (BETAR)-
(R)-3-(4-Bromophenyl)-3-((tert-butoxycarbonyl)amino)propanoic acid
BOC-P-BROMO-D-BETA-PHENYLALANINE
(3R)-3-(4-bromophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
(R)-3-(4-Bromophenyl)-3-((tert-butoxycarbonyl)amino)propanoicacid
Boc-4-bromo-L-beta-phenylalanine
Boc-(R)-3-Amino-3-(4-bromophenyl)propionic acid
(R)-3-(4-Bromophenyl)-3-(BOC-amino)propanoic acid
(R)-3-(4-bromophenyl)-3-(tert-butoxycarbonylamino)propanoic acid
ZAMLGGRVTAXBHI-LLVKDONJSA-N
AKOS016843743
Boc-(R)-4-beta-bromophenylalanine
PD196979
SCHEMBL2794893
HY-W016035
AC-22020
(3R)-3-(4-Bromophenyl)-3-[(tert-butoxycarbonyl)amino]propanoic acid
261380-20-5
(R)-N-BOC-3-Amino-3-(4-bromophenyl)propanoic acid
Benzenepropanoic acid, 4-bromo-β-[[(1,1-dimethylethoxy)carbonyl]amino]-, (βR)-
BOC-(R)-3-AMINO-3-(4-BROMO-PHENYL)-PROPIONIC ACID

MDL Number

MFCD01320860

Customs Code

2924299090

FAQ

What is (3R)-3-(4-Bromophenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid (CAS: 261380-20-5)?

(3R)-3-(4-Bromophenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid is a complex organic compound with a bromine substituent and an amino group. This compound is used in pharmaceutical research and development due to its unique chemical structure.

What are the main uses of (3R)-3-(4-Bromophenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid (CAS: 261380-20-5)?

(3R)-3-(4-Bromophenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid is primarily used in the pharmaceutical industry for developing new drug candidates, particularly in the areas of anti-inflammatory and antiviral drug research.

Is (3R)-3-(4-Bromophenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid (CAS: 261380-20-5) safe?

While (3R)-3-(4-Bromophenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid is safe for industrial use, it is important to follow safety guidelines, including proper ventilation and protective equipment, to minimize exposure. Handling should be done in a well-ventilated area, and appropriate personal protective equipment should be worn.

How should (3R)-3-(4-Bromophenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid (CAS: 261380-20-5) be stored?

(3R)-3-(4-Bromophenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid should be stored at room temperature (15-25°C) in a cool, dry place, protected from light. It should be kept in a tightly sealed container to prevent degradation and ensure optimal stability and safety.