FMOC-O-tert-Butyl-L-threonine
- Iupac Name：(2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]butanoic acid
- CAS No.: 71989-35-0
- Molecular Weight：397.47
- Modify Date.: 2022-10-31 05:53
- Introduction: Used for peptide synthesis and as amino acid protection monomer.
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1. Names and Identifiers
- 1.1 Name
- FMOC-O-tert-Butyl-L-threonine
- 1.2 Synonyms
(2S,3R)-2-(((9-Fluorenylmethoxy)carbonyl)amino)-3-(tert-butoxy)butanoic acid (2S,3R)-2-(((9-Fluorenylmethoxy)carbonyl)amino)-3-(tert-butoxy)butanoicacid (2S,3R)-3-tert-Butoxy-2-[[[[9H-fluoren-9-yl]methoxy]carbonyl]amino)butanoic acid (2S,3R)-3-tert-Butoxy-2-[[[[9H-fluoren-9-yl]methoxy]carbonyl]amino)butanoicacid 120: PN: WO2004099237 PAGE: 35 claimed protein Fmoc-L-Thr(tBu)-OH Fmoc-Thr(tBu)-OH L-Threonine, O-(1,1-dimethylethyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]- L-Threonine,O-(1,1-dimethylethyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]- N-(9-Fluorenylmethoxycarbonyl)-O-tert-butylthreonine O-(1,1-Dimethylethyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-threonine
- 1.3 CAS No.
- 71989-35-0
- 1.4 CID
- 6364643
- 1.5 EINECS(EC#)
- 276-261-1
- 1.6 Molecular Formula
- C23H27NO5 (isomer)
- 1.7 Inchi
- InChI=1S/C23H27NO5/c1-14(29-23(2,3)4)20(21(25)26)24-22(27)28-13-19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h5-12,14,19-20H,13H2,1-4H3,(H,24,27)(H,25,26)/t14-,20+/m1/s1
- 1.8 InChkey
- LZOLWEQBVPVDPR-VLIAUNLRSA-N
- 1.9 Canonical Smiles
- CC(C(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)OC(C)(C)C
- 1.10 Isomers Smiles
- C[C@H]([C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)OC(C)(C)C
2. Properties
- 2.1 Density
- 1.197
- 2.1 Melting point
- 124-128℃
- 2.1 Boiling point
- 581.7 oC at 760 mmHg
- 2.1 Refractive index
- 15 ° (C=1, AcOEt)
- 2.1 Flash Point
- 305.6 oC
- 2.1 Precise Quality
- 397.18900
- 2.1 PSA
- 84.86000
- 2.1 logP
- 4.57280
- 2.1 Appearance
- White to off-white crystalline powder
- 2.2 Storage
- Keep Cold.
- 2.3 Chemical Properties
- white to light yellow crystal powde FMOC-O-tert-Butyl-L-threonine Preparation Products And Raw materials Raw materials
- 2.4 Color/Form
- White
- 2.5 pKa
- 3.42±0.10(Predicted)
- 2.6 Water Solubility
- Soluble in ethyl acetate, insoluble in petroleum ether
- 2.7 Stability
- Stable under normal temperatures and pressures.
- 2.8 StorageTemp
- 2-8°C
3. Safety and Handling
- 3.1 Hazard Codes
- Xi
- 3.1 Risk Statements
- 36/37/38
- 3.1 Safety Statements
- S24/25
- 3.1 RIDADR
- OTH
- 3.1 WGK Germany
- 3
- 3.1 Safety
-
Hazard Codes:?
Xi
Risk Statements: 36/37/38?
R36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 24/25-36/37/39-27-26?
S24/25: Avoid contact with skin and eyes
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection
S27: Take off immediately all contaminated clothing
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
WGK Germany: 3
- 3.2 Specification
-
?Fmoc-o-tert-butyl-l-threonine (CAS NO.71989-35-0) is also called as?9-Fluorenylmethoxycarbonyl-o-t-butyl-l-theonine ; 9-Fluorenylmethoxycarbonyl-o-t-butyl-l-threonine ; Fmoc-o-t-butyl-l-threonine ; Fmoc-l-thr(o-t-butyl) ; Fmoc-l-threonine(o-t-butyl) ; Fmoc-l-threonine (tbu) ; Fmoc-l-threonine t-butyl ether .
4. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1
Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1
2.2 GHS label elements, including precautionary statements
| Pictogram(s) |  |
| Signal word | Warning |
| Hazard statement(s) | H410 Very toxic to aquatic life with long lasting effects |
| Precautionary statement(s) | |
| Prevention | P273 Avoid release to the environment. |
| Response | P391 Collect spillage. |
| Storage | none |
| Disposal | P501 Dispose of contents/container to ... |
2.3 Other hazards which do not result in classification
none
5. Synthesis Route
71989-35-0Total: 7 Synthesis Route
7. Computational chemical data
- Molecular Weight: 397.47g/mol
- Molecular Formula: C23H27NO5
- Compound Is Canonicalized: True
- XLogP3-AA: 4
- Exact Mass: 397.18892296
- Monoisotopic Mass: 397.18892296
- Complexity: 564
- Rotatable Bond Count: 8
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Topological Polar Surface Area: 84.9
- Heavy Atom Count: 29
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADceB6OAAAAAAAAAAAAAAAAAAAAYAAAAAwYAAAAAAAAGABQAAAHgAQCAAADXzhmAYyCILABgCIAiDSGAACAAAgAAAIiIGIAIkKIDaAETCPYAAl9gEYiAeAwPAOgAAAAAAQAAAAAAAAACAAAQAACAAAAA==
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9. Realated Product Infomation
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