FMOC-O-tert-Butyl-L-serine
- Iupac Name:(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]propanoic acid
- CAS No.: 71989-33-8
- Molecular Weight:383.444
- Modify Date.: 2022-10-31 05:54
- 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-serine
- 1.2 Synonyms
(2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]propanoic acid (2S)-3-(tert-Butoxy)-2-([[(9H-fluoren-9-yl)methoxy]carbonyl]amino)propanoic acid (2S)-3-tert-Butoxy-2-[[[(9H-fluoren-9-yl)methoxy]carbonyl]amino]propanoic acid 2-(9H-Fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]propanoic acid 9-fluorenylmethoxycarbonyl-O-tert-butyl-L-serine Fmoc-L-Ser(tBu)-OH Fmoc-Ser(OtBu)-OH Fmoc-Ser(tBu)-OH L-Serine, O-(1,1-dimethylethyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]- N-(9-Fluorenylmethoxycarbonyl)-O-tert-butylserine N-(9H-Fluorene-9-ylmethoxycarbonyl)-O-tert-butyl-L-serine N-(9H-Fluorene-9-ylmethoxycarbonyl)-O-tert-butylserine N-FMOC-L-Ser (O-tert-Bu) OH N-Fmoc-O-tert-Butyl-L-serine, Fmoc-O-tert-butyl-L-serine O-(1,1-Dimethylethyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-serine O-tert-Butyl-N-(9-fluorenylmethoxycarbonyl)serine O-tert-Butyl-N-Fmoc-L-serine
- 1.3 CAS No.
- 71989-33-8
- 1.4 CID
- 2724633
- 1.5 EINECS(EC#)
- 276-260-6
- 1.6 Molecular Formula
- C22H25NO5 (isomer)
- 1.7 Inchi
- InChI=1S/C22H25NO5/c1-22(2,3)28-13-19(20(24)25)23-21(26)27-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,23,26)(H,24,25)/t19-/m0/s1
- 1.8 InChkey
- REITVGIIZHFVGU-IBGZPJMESA-N
- 1.9 Canonical Smiles
- CC(C)(C)OCC(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
- 1.10 Isomers Smiles
- CC(C)(C)OC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
2. Properties
- 2.1 Density
- 1.216
- 2.1 Melting point
- 127-131 oC
- 2.1 Boiling point
- 578.6 °C at 760 mmHg
- 2.1 Refractive index
- 24 ° (C=1, AcOEt)
- 2.1 Flash Point
- 303.7 °C
- 2.1 Precise Quality
- 383.17300
- 2.1 PSA
- 84.86000
- 2.1 logP
- 4.18430
- 2.1 Appearance
- White to off-white powder
- 2.2 Storage
- Keep Cold.
- 2.3 Chemical Properties
- white to light yellow crystal powde FMOC-O-tert-Butyl-L-serine Preparation Products And Raw materials Raw materials
- 2.4 pKa
- 3.44±0.10(Predicted)
- 2.5 Water Solubility
- Insoluble in WATER; soluble in most organic solvents
- 2.6 Stability
- Stable under normal temperatures and pressures.
- 2.7 StorageTemp
- 2-8°C
3. Safety and Handling
- 3.1 Hazard Codes
- Xi
- 3.1 Risk Statements
- R36/37/38
- 3.1 Safety Statements
- 24/25-36/37/39-27-26
- 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-Ser(tBu)-OH , its cas register number 71989-33-8. It also can be called?N-(9-Fluorenylmethoxycarbonyl)-O-tert-butyl-L-serine ;?and Fmoc-O-tert-Butyl-L-serine .
?Fmoc-Ser(tBu)-OH (CAS NO.71989-33-8) could be stable under normal temperatures and pressures. It should avoid the condition like strong oxidants. And also prevent it to broken down into hazardous decomposition products: nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, nitrogen. However, its hazardous polymerization has not been reported.
Storage Condition: <25°C
Other precautions: Avoid contact with material. Avoid prolonged or repeated exposure. Store in a tightly closed container in a dry, cool place. Wash thoroughly after handling material. Material should only be handled by qualified, experienced professionals.
- 3.3 Toxicity
-
RTECS Number: No RTECS number has been assigned to Fmoc-Ser(tBu)-OH.?
?Fmoc-Ser(tBu)-OH (CAS NO.71989-33-8) hasn't been listed as a carcinogen by ACGIH, IARC, NTP, or CA Prop 65. And the toxicological properties have not been fully investigated.
4. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
Not classified.
2.2 GHS label elements, including precautionary statements
Pictogram(s) | |
Signal word | Warning |
Hazard statement(s) | H302 Harmful if swallowed H312 Harmful in contact with skin H332 Harmful if inhaled |
Precautionary statement(s) | |
Prevention | none |
Response | none |
Storage | none |
Disposal | none |
2.3 Other hazards which do not result in classification
none
5. Synthesis Route
71989-33-8Total: 5 Synthesis Route
7. Computational chemical data
- Molecular Weight: 383.444g/mol
- Molecular Formula: C22H25NO5
- Compound Is Canonicalized: True
- XLogP3-AA: 3.5
- Exact Mass: 383.17327290
- Monoisotopic Mass: 383.17327290
- Complexity: 536
- Rotatable Bond Count: 8
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Topological Polar Surface Area: 84.9
- Heavy Atom Count: 28
- Defined Atom Stereocenter Count: 1
- 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: AAADceB6OAAAAAAAAAAAAAAAAAAAAYAAAAAwYAAAAAAAAGABQAAAHgAQCAAADWzhmAYyCILABgCIAiDSGAACAAAgAAAIiIGIAIkKICaAETCLYAAl9gEYiAeAwPAOgAAAAAAQAAAAAAAAACAAAQAACAAAAA==
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