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ChemicalBook--->CAS DataBase List--->86069-86-5

86069-86-5

86069-86-5 Structure

86069-86-5 Structure
IdentificationMore
[Name]

FMOC-L-PIPECOLIC ACID
[CAS]

86069-86-5
[Synonyms]

FMOC-HOMOPROLINE
FMOC-HOMOPRO-OH
FMOC-HOPRO-OH
FMOC-L-HOMOPROLINE
FMOC-L-(-)-PIPECOLIC ACID
FMOC-L-PIPECOLIC ACID
FMOC-L-PIPERIDINE-2-CARBOXYLIC ACID
FMOC-L-PIP-OH
FMOC-PIC(2)-OH
FMOC-PIPERIDINE-2-CARBOXYLIC ACID
FMOC-PIP-OH
FMOC-(S)-(-)-PIPERIDINE-2-CARBOXYLIC ACID
FMO-L-HOMOPROLINE
L-1-N-FMOC-PIPECOLINIC ACID
(L)-N-(9-FLUORENYLMETHYLOXYCARBONYL)PIPECOLIC ACID
(L)-N-FMOC-PIPECOLIC ACID
N-ALPHA-(9-FLUORENYLMETHOXYCARBONYL)-L-HOMOPROLINE
N-ALPHA-(9-FLUORENYLMETHOXYCARBONYL)-L-PIPECOLIC ACID
N-ALPHA-FMOC-L-PIPECOLIC ACID
N-FMOC-L-PIPECOLINIC ACID
[EINECS(EC#)]

808-115-5
[Molecular Formula]

C21H21NO4
[MDL Number]

MFCD00235898
[Molecular Weight]

351.4
[MOL File]

86069-86-5.mol
Chemical PropertiesBack Directory
[Melting point ]

149-153
[Boiling point ]

561.6±43.0 °C(Predicted)
[density ]

1.293±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

soluble in Methanol
[form ]

powder to crystal
[pka]

3.97±0.20(Predicted)
[color ]

White to Light yellow
[Optical Rotation]

[α]22/D 23°, c = 1 in DMF
[BRN ]

4718405
[CAS DataBase Reference]

86069-86-5(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

50/53
[Safety Statements ]

60-61
[RIDADR ]

UN 3077 9 / PGIII
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[HS Code ]

29333990
Hazard InformationBack Directory
[Chemical Properties]

White powder
[Uses]

peptide synthesis
[reaction suitability]

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

(9H-fluoren-9-yl)methyl 2,5-dioxopyrrolidine-1-carboxylate

102774-86-7

L(-)-Pipecolinic acid

3105-95-1

FMOC-D-PIPECOLIC ACID

101555-63-9

The general procedure for the synthesis of (R)-1-(((9H-fluoren-9-yl)methoxy)carbonyl)piperidine-2-carboxylic acid from the compound (CAS: 102774-86-7) and L-2-piperidinic acid is as follows: 1. L-piperidine acid (3.6 g, 38.7 mmol) was dissolved in 40 mL of 10% aqueous sodium carbonate solution in a round-bottomed flask and stirred at room temperature for 5 min. 2. Fmoc-OSu (8.5 g, 34.8 mmol) dissolved in 35 mL of dioxane was added to the above solution and the reaction mixture was stirred overnight. 3. After completion of the reaction, water was added and the aqueous layer was extracted with ethyl acetate. 4. The aqueous layer was adjusted to pH=2 by adding concentrated hydrochloric acid and then extracted with ethyl acetate (3 x 40 mL). 5. The organic phases were combined, washed sequentially with 1N hydrochloric acid and saturated brine, dried with anhydrous magnesium sulfate, and concentrated under reduced pressure to obtain a colorless oily liquid. 6. The oily liquid was dissolved in ether, cooled and precipitated as a fluffy white solid, washed with hexane and dried to afford (S)-1-(((9H-fluoren-9-yl)methoxy)carbonyl)piperidine-2-carboxylic acid (8.2 g, 38.7 mmol, 83% yield). Product Characterization Data: - TLC (unfolding agent: hexane:EtOAc:TFA = 1:1:0.2): rf = 0.60 - HPLC (gradient A): retention time = 24.6-24.8 min - 1H NMR (300 MHz, CDCl3): δ 1.28-1.53 (m, 2H), 1.69-1.82 (m, 3H), 2.19-2.37 (m, 1H), 3.15 (t, 1H, J = 13.2 Hz), 4.05-4.33 (m, 2H), 4.37-4.49 (m, 2H), 4.76- 5.05 (m, 1H), 7.28-7.41 (m, 4H), 7.55-7.62 (m, 2H), 1.77 (s, 2H) - 13C NMR (75 MHz, CDCl3): δ 20.72, 24.70, 26.55, 41.94, 47.25, 54.19, 67.86, 119.97, 125.08, 127.07, 127.68, 141.33, 143.89, 156.65, 177.36 - MS (ESI): m/z 352.66 [M + H]+, calculated 352.40 [M + H]+

[References]

[1] Patent: WO2013/91900, 2013, A1. Location in patent: Page/Page column 41
Spectrum DetailBack Directory
[Spectrum Detail]

FMOC-L-PIPECOLIC ACID(86069-86-5)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

86069-86-5(sigmaaldrich)
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