N-alpha-(9-Fluorenylmethyloxycarbonyl)-N-alpha-methyl-O-t-butyl-L-threonine
Basic information
- CAS
117106-20-4- Standard SMILES
C[C@@H](OC(C)(C)C)[C@@H](C(=O)O)N(C)C(=O)OCC1c2ccccc2-c2ccccc21- InChIKey
VIUVLZHFMIFLHU-VFNWGFHPSA-N- Molecular formula
- C24H29NO5
- Average molar mass
- 411.5 g/mol
- Monoisotopic mass
- 411.20457303
Names & identifiers
- Preferred name
- N-alpha-(9-Fluorenylmethyloxycarbonyl)-N-alpha-methyl-O-t-butyl-L-threonine
- IUPAC
- (2S,3R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-[(2-methylpropan-2-yl)oxy]butanoic acid
- English name
- N-Fmoc-N-Methyl-O-tert-butyl-L-threonine
- Molecular formula
- C24H29NO5
- Molecular weight
- 411.49
Names & synonyms
N-alpha-(9-Fluorenylmethyloxycarbonyl)-N-alpha-methyl-O-t-butyl-L-threonineO-(1,1-Dimethylethyl)-N-((9H-fluoren-9-ylmethoxy)carbonyl)-N-methyl-L-threonineO-(1,1-Dimethylethyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-threonineRefChem:828983872-132-4Fmoc-N-Me-Thr(tBu)-OH117106-20-4(2S,3R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-3-(tert-butoxy)butanoic acidN-Fmoc-N-Methyl-O-tert-butyl-L-threonineMFCD02094431Fmoc-N-Me-L-Thr(tBu)-OHFmoc-MeThr(tBu)-OH
Show more names
Fmoc-N-Me-Thr(tBu)FMOC-L-METHR(TBU)-OHFMOC-N-ME-THR(BUT)-OHFmoc-N-Me-Thr(tBu)-OH 97%FMOC-N-ME-THREONINE(TBU)-OHFMOC-N-METHYL-O-T-BUTYL-L-THREONINE
(2S,3R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-[(2-methylpropan-2-yl)oxy]butanoic acidL-Threonine, O-(1,1-dimethylethyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methyl-M03390N-(((9H-fluoren-9-yl)methoxy)carbonyl)-O-(tert-butyl)-N-methyl-L-threonine(2S,3R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-3-(tert-butoxy)butanoicacid(2S,3R)-3-(TERT-BUTOXY)-2-{[(9H-FLUOREN-9-YLMETHOXY)CARBONYL](METHYL)AMINO}BUTANOIC ACIDFmoc-N-Alpha-Methyl-O-T-Butyl-L-ThreonineSCHEMBL955882
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 593
Physicochemical properties
- Melting point
- 220 · 220-225°C
- Boiling point
- 562.4 · 562.4±50.0 °C(Predicted)
- Density
- 1.185 · 1.185±0.06 g/cm3(Predicted)
- storage temp.
- 2 °C · Store at +2°C to +8°C.
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- pka
- 3.43 · 3.43±0.10(Predicted)
- form
- Solid
- color
- Off-white to light yellow
- optical activity
- 22 · [α]22/D +16.0°, c = 0.5% in methanol
- Major Application
- peptide synthesis
- InChI
- 1S/C24H29NO5/c1-15(30-24(2,3)4)21(22(26)27)25(5)23(28)29-14-20-18-12-8-6-10-16(18)17-11-7-9-13-19(17)20/h6-13,15,20-21H,14H2,1-5H3,(H,26,27)/t15-,21+/m1/s1
- InChIKey
- VIUVLZHFMIFLHU-FXMQYSIJSA-N
- SMILES
- C(O)(=O)[C@H]([C@H](OC(C)(C)C)C)N(C(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O)C
- CAS DataBase Reference
- 117106 · 117106-20-4(CAS DataBase Reference)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- wgk
- 3
- hs_code
- 2924 29 70
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Storage Class
- 13 - Non Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P280-P302+P352
Chemistry & industry
Applications
Uses(2S,3R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-3-(tert-butoxy)butanoic Acid is a Threonine derivative that has been used for the preparation of antifungal cyclic depsipeptide petriellin .
Upstream & downstream products
Upstream raw materials
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