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FMOC-L-Leucine structure
FMOC-L-Leucine structure

FMOC-L-Leucine

Iupac Name:(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoic acid
CAS No.: 35661-60-0
Molecular Weight:353.418
Modify Date.: 2023-02-18 05:09
Introduction:

General procedure: To a solution of H-Phe-OH (100 mg, 60.5 mmol) in 50 percent MeCN (6.1 mL)were added Fmoc-OPhth (233 mg, 60.5 mmol) and K2CO3 (167 mg, 121 mmol) and stirred at room temperature. After 2 h of stirring saturated sodium bicarbonate solution and H2O were added and the resulting solution was washed with diethyl ether. The aqueous phase is acidified to pH 1 with 1M HCl and extracted with diethyl ether. The organic phase was washed with 1 M HCl, H2O, brine, dried over MgSO4. The filtrate was evaporatedevaporated under reduced pressure to give yellow solid as crude product.EXAMPLE 22

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1. Names and Identifiers
1.1 Name
FMOC-L-Leucine
1.2 Synonyms

(2R)-2-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-4-methylpentanoate (2S)-2-([[(9H-Fluoren-9-yl)methoxy]carbonyl]amino)-4-methylpentanoic acid (2S)-2-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-4-methylpentanoic acid (2S)-2-[[[(9H-Fluoren-9-yl)methoxy]carbonyl]amino]-4-methylpentanoic acid 217: PN: US20070042401 PAGE: 29 claimed protein 908: PN: WO2006135786 PAGE: 58 claimed protein D-Leucine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, ion(1-) F-L-LEU Fmoc-leucine FMOC-LEU-OH FMOC-L-LEU FMOC-L-LEU-OH L-Leucine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]- L-Leucine-1-13C-N-FMOC N-(9-Fluorenylmethoxycarbonyl)leucine N-(9-Fluorenylmethoxycarbonyl)-L-leucine N-(Fluorenylmethoxycarbonyl)leucine N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-leucine N-FMOC-leucine N-Fmoc-L-leucine NPC 15199 NSC 334290

1.3 CAS No.
35661-60-0
1.4 CID
1549133
1.5 EINECS(EC#)
252-662-7
1.6 Molecular Formula
C21H23NO4 (isomer)
1.7 Inchi
InChI=1S/C21H23NO4/c1-13(2)11-19(20(23)24)22-21(25)26-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18-19H,11-12H2,1-2H3,(H,22,25)(H,23,24)/t19-/m0/s1
1.8 InChkey
CBPJQFCAFFNICX-IBGZPJMESA-N
1.9 Canonical Smiles
CC(C)CC(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
1.10 Isomers Smiles
CC(C)C[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
2. Properties
2.1 Density
1.207
2.1 Melting point
153-157℃
2.1 Boiling point
559.8 °C at 760 mmHg
2.1 Refractive index
-25 ° (C=1, DMF)
2.1 Flash Point
292.4 °C
2.1 Precise Quality
353.16300
2.1 PSA
75.63000
2.1 logP
4.41530
2.1 Appearance
White crystalline powder
2.2 Storage
Keep Cold.
2.3 Chemical Properties
white to light yellow crystal powde
2.4 pKa
3.91±0.21(Predicted)
2.5 Water Solubility
Appearance:White crystalline powder
Transport Information: OTH
Hazard Symbols:Not regulated UN NO.
particular:particular
2.6 Stability
Stable under normal temperatures and pressures.
2.7 StorageTemp
2-8°C
3. Use and Manufacturing
3.1 GHS Classification
Signal: Warning
GHS Hazard Statements
Aggregated GHS information provided by 7 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Reported as not meeting GHS hazard criteria by 5 of 7 companies. For more detailed information, please visit ECHA C&L website

Of the 1 notification(s) provided by 2 of 7 companies with hazard statement code(s):

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]

Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.

Precautionary Statement Codes
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501
4. Safety and Handling
4.1 Hazard Codes
Xi
4.1 Risk Statements
R36/37/38
4.1 Safety Statements
S24/25
4.1 Hazard Declaration
H302
4.1 RIDADR
OTH
4.1 Caution Statement
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, P501
4.1 WGK Germany
3
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

9. Other Information
9.0 Mesh Entry Terms
N-(fluorenyl-9-methoxycarbonyl)leucine
10. Computational chemical data
  • Molecular Weight: 353.418g/mol
  • Molecular Formula: C21H23NO4
  • Compound Is Canonicalized: True
  • XLogP3-AA: 4.4
  • Exact Mass: 353.16270821
  • Monoisotopic Mass: 353.16270821
  • Complexity: 484
  • Rotatable Bond Count: 7
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Topological Polar Surface Area: 75.6
  • Heavy Atom Count: 26
  • 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: AAADceB6OAAAAAAAAAAAAAAAAAAAAYAAAAAwYAAAAAAAAGABQAAAHgAQCAAADSjhmAYyCILABgCIAiDSGAACAAAgAAAIiIGIAIkKIDKAkTCMYAAk1gEYiAeIwPAOgAAAAAAQAAAAAAAAACAAAQAACAAAAA==
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