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ALD00348

Boc-3-[3,4-bis(trifluoromethyl)phenyl]-L-alanine

≥95% (HPLC)

Synonym(s):

(S)-3-(3,4-Bis(trifluoromethyl)phenyl)-2-(tert-butoxycarbonylamino)propanoic acid

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About This Item

Empirical Formula (Hill Notation):
C16H17F6NO4
CAS Number:
2120095-23-8
Molecular Weight:
401.30
MDL number:
MFCD29049357
UNSPSC Code:
12352209
PubChem Substance ID:
329772653
NACRES:
NA.22
eCl@ss:
32150313
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description

ALPH: +24.0, 0.5%EtOH

Quality Segment

assay

≥95% (HPLC)

form

powder or solid

reaction suitability

reaction type: Boc solid-phase peptide synthesis, reagent type: ligand
reaction type: C-H Activation

application(s)

peptide synthesis

storage temp.

2-8°C

SMILES string

OC([C@@H](NC(OC(C)(C)C)=O)CC1=CC(C(F)(F)F)=C(C(F)(F)F)C=C1)=O

InChI

1S/C16H17F6NO4/c1-14(2,3)27-13(26)23-11(12(24)25)7-8-4-5-9(15(17,18)19)10(6-8)16(20,21)22/h4-6,11H,7H2,1-3H3,(H,23,26)(H,24,25)/t11-/m0/s1

InChI key

LLRXWQAYIGATCH-NSHDSACASA-N

Application

Unnatural amino acid was derived from a C-H Activation methodology developed by Jin-Quan Yu and coworkers. The Pd-mediated C-C bond formation can be made in tandem with 2-Methylpyridine (Aldrich 109835).

Other Notes

Ligand-Controlled C(sp3)–H Arylation and Olefination in Synthesis of Unnatural Chiral α–Amino Acids

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Codes

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class

11 - Combustible Solids

WGK

WGK 3

Flash Point (°F)

Not applicable

Flash Point (°C)

Not applicable

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