N-Boc-L-tert-Leucine
Synonym(s):(S)-N-Boc-2-amino-3,3-dimethylbutyric acid;Boc-L -tert-leucine;Boc-L-α-t-butylglycine;N-α-t.-Boc-L-α-t.-butyl-glycine,N-α-t.-Boc-L-t-leucine
- CAS NO.:62965-35-9
- Empirical Formula: C11H21NO4
- Molecular Weight: 231.29
- MDL number: MFCD00065574
- EINECS: 613-118-8
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-02-06 18:17:50
What is N-Boc-L-tert-Leucine?
Description
N-Boc-L-tert-Leucine is a white to slightly yellow crystalline powder. The carboxyl group in its structure can be condensed with alcohol compounds under the catalysis of acid or base to obtain the corresponding ester derivatives. This substance can be used for the synthesis of amino acid drugs due to the various chemical transformation properties of its amine and carboxyl groups. The Boc protective group is able to protect the amino group of the amino acid from non-specific reactions with other reactants. This compound is a derivative of L-tert-Leucine, which is a non-polar amino acid. Its tert-butyl group exhibits significant hydrophobicity and steric hindrance, enabling effective control of molecular conformation in chemical reactions, leading to the formation of chiral compounds. As a crucial chiral intermediate, L-tert-leucine is widely employed in the synthesis of anti-cancer, anti-viral, and biological inhibitors. Additionally, L-tert-leucine serves as an essential additive in the food and cosmetic industry.
Chemical properties
White crystalline powder
The Uses of N-Boc-L-tert-Leucine
Atazanavir Related Compound A
Properties of N-Boc-L-tert-Leucine
Melting point: | 118-121 °C |
alpha | -4.2 º (c=1% in glacial acetic acid) |
storage temp. | Sealed in dry,Room Temperature |
solubility | DMSO (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly) |
form | Crystalline Powder |
color | White to slightly yellow |
optical activity | [α]20/D 4.2±0.5°, c = 1% in glacial acetic acid |
BRN | 1962763 |
InChI | InChI=1/C11H21NO4/c1-10(2,3)7(8(13)14)12-9(15)16-11(4,5)6/h7H,1-6H3,(H,12,15)(H,13,14)/t7-/s3 |
CAS DataBase Reference | 62965-35-9(CAS DataBase Reference) |
Safety information for N-Boc-L-tert-Leucine
Signal word | Danger |
Pictogram(s) |
Corrosion Corrosives GHS05 |
GHS Hazard Statements |
H290:Corrosive to Metals H314:Skin corrosion/irritation |
Precautionary Statement Codes |
P234:Keep only in original container. P260:Do not breathe dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P363:Wash contaminated clothing before reuse. P390:Absorb spillage to prevent material damage. P301+P330+P331:IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P405:Store locked up. P406:Store in corrosive resistant/… container with a resistant inner liner. |
Computed Descriptors for N-Boc-L-tert-Leucine
InChIKey | LRFZIPCTFBPFLX-SSDOTTSWSA-N |
SMILES | [C@@H](C(=O)O)(C(C)(C)C)NC(=O)OC(C)(C)C |&1:0,r| |
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