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ChemicalBook--->CAS DataBase List--->71989-23-6

71989-23-6

71989-23-6 Structure

71989-23-6 Structure
IdentificationMore
[Name]

FMOC-L-Isoleucine
[CAS]

71989-23-6
[Synonyms]

2-[[(9H-FLUOREN-9-YLMETHOXY)CARBONYL]AMINO]-3-METHYLPENTANOIC ACID
9-FLUORENYLMETHOXYCARBONYL-L-ISOLEUCINE
FMOC-ILE
FMOC-ILE-OH
FMOC-ISOLEUCINE
FMOC-L-ILE
FMOC-L-ILE-OH
FMOC-L-ISOLEUCINE
N-(9-FLUORENYLMETHOXYCARBONYL)-L-ISOLEUCINE
N-9-FLUORENYLMETHYLOXYCARBONYL-L-ISOLEUCINE
N-[(9H-FLUOREN-9-YLMETHOXY)CARBONYL]-L-ISOLEUCINE
N-ALPHA-(9-FLUORENYLMETHOXYCARBONYL)-L-ISOLEUCINE
N-ALPHA-(9-FLUORENYLMETHYLOXYCARBONYL)-L-ISOLEUCINE
N-ALPHA-FMOC-L-ISOLEUCINE
N-FMOC-ILE-OH
N-FMOC-L-ILE
N-FMOC-L-ISOLEUCINE
Fmoc-lle-OH
L-Isoleucine, FMOC protected
N-FMOC-ILE-OH ( N-FMOC-L-ISOLEUCINE)
[EINECS(EC#)]

276-255-9
[Molecular Formula]

C21H23NO4
[MDL Number]

MFCD00037125
[Molecular Weight]

353.41
[MOL File]

71989-23-6.mol
Chemical PropertiesBack Directory
[Appearance]

white fine crystalline powder
[Melting point ]

145-147 °C(lit.)
[alpha ]

-12 º (c=1,DMF)
[Boiling point ]

486.83°C (rough estimate)
[density ]

1.2107 (rough estimate)
[refractive index ]

-12 ° (C=1, DMF)
[storage temp. ]

2-8°C
[solubility ]

Soluble in methanol (very faint turbidity).
[form ]

Fine Crystalline Powder
[pka]

3.92±0.22(Predicted)
[color ]

White
[optical activity]

[α]20/D 12±1°, c = 1% in DMF
[Detection Methods]

T,NMR,HPLC,Rotation
[BRN ]

4716717
[InChI]

InChI=1S/C21H23NO4/c1-3-13(2)19(20(23)24)22-21(25)26-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,13,18-19H,3,12H2,1-2H3,(H,22,25)(H,23,24)/t13-,19-/m0/s1
[InChIKey]

QXVFEIPAZSXRGM-DJJJIMSYSA-N
[SMILES]

C(O)(=O)[C@H]([C@@H](C)CC)NC(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O
[CAS DataBase Reference]

71989-23-6(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S22:Do not breathe dust .
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
[Hazard Note ]

Irritant
[HS Code ]

29242990
Raw materials And Preparation ProductsBack Directory
[Raw materials]

9-FLUORENYLMETHYL PENTAFLUOROPHENYL CARBONATE-->L-Isoleucine hydrochloride-->(9H-fluoren-9-yl)methyl 2,5-dioxopyrrolidine-1-carboxylate-->N-(9-Fluorenylmethoxycarbonyloxy)succinimide-->1-Hydroxybenzotriazole-->9-Fluorenylmethyl chloroformate-->L-Isoleucine
[Preparation Products]

4-Methylphenethylamine-->INDOLICIDIN-->ANGIOTENSIN I, HUMAN-->MELITTIN-->ANGIOTENSIN II, HUMAN-->Fmoc-L-beta-homoisoleucine
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-3-methylpentanoic acid(71989-23-6).msds
Hazard InformationBack Directory
[Description]

Fmoc-Ile-OH is an isoleucine derivative. It is white fine crystalline powder and belong to Fmoc materials. Fmoc-Leu-OH forms flower-like morphology at both low and high concentration under room temperature which changes to small tube-like structure on heating[1].
[Chemical Properties]

white fine crystalline powder
[Uses]

N-Fmoc-L-isoleucine is an unnatural amino acid used for peptidomimetics. It is also used as a pharmaceutical intermediate.
[General Description]

The product number for this product was previously 04-12-1024.

To obtain a certificate of analysis (CoA) of a lot that begins with the letter “A”, please select the option in the right hand menu “Request a COA for Lot#s starting with A”.
[reaction suitability]

reaction type: Fmoc solid-phase peptide synthesis
[References]

[1] N. Gour, B. Koshti, S. Naskar, V. Kshtriya, H. Narode, Self-assembled Structures Formed by Fmoc modified aliphatic amino acids, ChemRxiv, 2021.
Spectrum DetailBack Directory
[Spectrum Detail]

FMOC-L-Isoleucine(71989-23-6)MS
FMOC-L-Isoleucine(71989-23-6)1HNMR
FMOC-L-Isoleucine(71989-23-6)13CNMR
FMOC-L-Isoleucine(71989-23-6)IR1
FMOC-L-Isoleucine(71989-23-6)IR2
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

FMOC-L-Isoleucine, 99%(71989-23-6)
[Alfa Aesar]

N-Fmoc-L-isoleucine, 98%(71989-23-6)
[Sigma Aldrich]

71989-23-6(sigmaaldrich)
[TCI AMERICA]

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-isoleucine,>98.0%(T)(71989-23-6)
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