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Home> Encyclopedia >Organic Acid>Pharmaceutical Intermediates>Organic Intermediate
FMOC-O-tert-Butyl-L-serine structure
FMOC-O-tert-Butyl-L-serine structure

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. View more+
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:?IrritantXi
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

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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