N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-(trifluoromethyl)-D-phenylalanine

Basic Information

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CAS Number

82317-82-6

Molecular Formula

C15H18F3NO4

Molecular Weight

333.31 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

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

135-138 ºC

Specific Rotation

-7.0±0.5°, c = 1% in methanol

SMILES

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

InChI

InChI=1S/C15H18F3NO4/c1-14(2,3)23-13(22)19-11(12(20)21)8-9-5-4-6-10(7-9)15(16,17)18/h4-7,11H,8H2,1-3H3,(H,19,22)(H,20,21)/t11-/m1/s1

InChIKey

SHMWDGGGZHFFRC-LLVKDONJSA-N

LogP

3.225800000000002

Topological Polar Surface Area

75.63 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

431

Safety Information

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Hazard Statement

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

(R)-2-(TERT-BUTOXYCARBONYLAMINO)-3-(3-(TRIFLUOROMETHYL)PHENYL)PROPANOIC ACID
Boc-D-Phe(3-CF3)-OH, >=98.0% (TLC)
Boc-3-(trifluoromethyl)-D-phenylalanine
3-(Trifluoromethyl)-L-phenylalanine, N-BOC protected (Boc-L-Phe(3-CF3)-OH)
N-[(1,1-Dimethylethoxy)carbonyl]-3-(trifluoromethyl)-D-phenylalanine
DTXSID001160845
BOC-D-3-TRIFLUOROMETHYLPHE
SCHEMBL3556619
Boc-D-3-Trifluoromethylphenylalanine
HY-W013785
N-(boc)-3-(trifluoromethyl)-d-phenylalanine
(R)-2-((tert-Butoxycarbonyl)amino)-3-(3-(trifluoromethyl)phenyl)propanoic acid
82317-82-6
A50131
AS-15596
Boc-3-Trifluoromethyl-D-Phenylalanine
Boc-D-Phe(3-CF3)-OH
CS-W014501
N-Boc-3-(trifluoromethyl)-D-phenylalanine
AM83493
AC-9977
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[3-(trifluoromethyl)phenyl]propanoic acid
AKOS025117413
SHMWDGGGZHFFRC-LLVKDONJSA-N
MFCD00672524
BOC-D-3-Trifluoromethylphe
BOC-D-Phe(3-CF3)-OH
BOC-D-Phe(3-trifluoromethyl)-OH
BOC-3-(Trifluoromethyl)-D-phenylalanine
tert-Butoxycarbonyl-D-3-trifluoromethylphenylalanine
Boc-3-Trifluoromethyl-D-phenylalanine

MDL Number

MFCD00672525

FAQ

What is N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-(trifluoromethyl)-D-phenylalanine (CAS: 82317-82-6)?

N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-(trifluoromethyl)-D-phenylalanine is a synthetic amino acid with the CAS number 82317-82-6. It is a chiral compound with a trifluoromethyl group and a 2-methylpropoxy carbonyl side chain attached to the D-phenylalanine backbone. This compound is used in pharmaceutical research and as a building block for drug development.

What are the main uses of N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-(trifluoromethyl)-D-phenylalanine (CAS: 82317-82-6)?

N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-(trifluoromethyl)-D-phenylalanine is primarily used in the pharmaceutical industry as a precursor for synthesizing complex molecules. It is also utilized in research for its unique structural features and potential for medicinal applications.

Is N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-(trifluoromethyl)-D-phenylalanine (CAS: 82317-82-6) safe?

N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-(trifluoromethyl)-D-phenylalanine is generally safe when handled with proper precautions. It is important to follow standard safety protocols, such as wearing appropriate personal protective equipment (PPE), including gloves and goggles. Storage and disposal should be done in a fume hood or well-ventilated area to avoid inhalation of vapors and direct contact with skin and eyes.

How should N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-(trifluoromethyl)-D-phenylalanine (CAS: 82317-82-6) be stored?

N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-(trifluoromethyl)-D-phenylalanine should be stored in a tightly sealed container at a temperature between 15-25°C and a relative humidity below 60%. It should be protected from direct sunlight and stored in a cool, dry place. Avoid contact with incompatible materials such as strong acids, bases, and oxidizing agents. Handling should be done in a well-ventilated area or fume hood to prevent inhalation of vapors.