CAS No.141743-15-9,FMOC-N-(N-BETA-BOC-AMINOETHYL)-GLY-OH Suppliers

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Basic Information

Molecular Structure:
CAS No.:	141743-15-9
Name:	FMOC-N-(N-BETA-BOC-AMINOETHYL)-GLY-OH
Article Data:	8

Formula:	C₂₄H₂₈N₂O₆
Molecular Weight:	440.496
Synonyms:	Glycine,N-[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-;
Density:	1.25 g/cm³
Boiling Point:	638.3 °C at 760 mmHg
Flash Point:	339.8 °C
Hazard Symbols:	N
Risk Codes:	50/53
Safety:	60-61
Transport Information:	UN 3077
PSA:	105.17000
LogP:	4.23770

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Specification

The N-{2-[(tert-Butoxycarbonyl)amino]ethyl}-N-[(9H-fluoren-9-ylmethoxy)carbonyl]glycine, with the CAS registry number 141743-15-9, is also known as Glycine, N-[2-[[(1, 1-dimethylethoxy)carbonyl]amino]ethyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-. This chemical's molecular formula is C₂₄H₂₈N₂O₆ and molecular weight is 440.49. What's more, its systematic name is N-{2-[(tert-Butoxycarbonyl)amino]ethyl}-N-[(9H-fluoren-9-ylmethoxy)carbonyl]glycine. In addition, it must be stored at -15 °C.

Physical properties about N-{2-[(tert-Butoxycarbonyl)amino]ethyl}-N-[(9H-fluoren-9-ylmethoxy)carbonyl]glycine are: (1)ACD/LogP: 5.20; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.45; (4)ACD/LogD (pH 7.4): 1.81; (5)ACD/BCF (pH 5.5): 94.84; (6)ACD/BCF (pH 7.4): 2.13; (7)ACD/KOC (pH 5.5): 289.72; (8)ACD/KOC (pH 7.4): 6.51; (9)#H bond acceptors: 8; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 85.38 Å²; (13)Index of Refraction: 1.58; (14)Molar Refractivity: 117.21 cm³; (15)Molar Volume: 352.1 cm³; (16)Polarizability: 46.46×10^-24 cm³; (17)Surface Tension: 52.7 dyne/cm; (18)Density: 1.25 g/cm³; (19)Flash Point: 339.8 °C; (20)Enthalpy of Vaporization: 99.08 kJ/mol; (21)Boiling Point: 638.3 °C at 760 mmHg; (22)Vapour Pressure: 3.62E-17 mmHg at 25 °C.

Preparation of N-{2-[(tert-Butoxycarbonyl)amino]ethyl}-N-[(9H-fluoren-9-ylmethoxy)carbonyl]glycine: this chemical is prepared by reaction of 9-Fluorenylmethyl-succinimidyl-carbonate with (2-tert-Butoxycarbonylamino-ethylamino)-acetic acid at ambient temperature. The reaction needs reagent aq. Et₃N and solvent Acetonitrile. The reaction time is 4 hours. The yield is about 80 %.

The N-{2-[(tert-Butoxycarbonyl)amino]ethyl}-N-[(9H-fluoren-9-ylmethoxy)carbonyl]glycine can be obtained by 9-Fluorenylmethyl-succinimidyl-carbonate and (2-tert-Butoxycarbonylamino-ethylamino)-acetic acid.

Uses of N-{2-[(tert-Butoxycarbonyl)amino]ethyl}-N-[(9H-fluoren-9-ylmethoxy)carbonyl]glycine: it is used to produce other chemicals. For example, it is used to produce (E)-17-[N-[2-(tert-Butyloxycarbonylamino)ethyl]-N-fluorenylmethyloxycarbonylglycinyloxy]-4, 7, 10, 13-tetraoxa-15-heptadecenoic acid phenacyl ester. This reaction needs reagents Bu₄NBr and aq. NaHCO₃. Meanwhile, it needs solvent CH₂Cl₂. The reaction time is 14 hours. The yield is about 92 %.

N-{2-[(tert-Butoxycarbonyl)amino]ethyl}-N-[(9H-fluoren-9-ylmethoxy)carbonyl]glycine can react with (E)-17-Bromo-4,7,10,13-tetraoxa-15-heptadecenoic acid phenacyl ester to get (E)-17-[N-[2-(tert-Butyloxycarbonylamino)ethyl]-N-fluorenylmethyloxycarbonylglycinyloxy]-4, 7, 10, 13-tetraoxa-15-heptadecenoic acid phenacyl ester.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is dangerous for the environment. In addition, this chemical is very toxic to aquatic organisms, and it may cause long-term adverse effects in the aquatic environment. Besides, this material and its container must be disposed of as hazardous waste. And you should avoid release to the environment.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC(C)(C)C)NCCN(C(=O)OCC3c1ccccc1c2c3cccc2)CC(=O)O
(2) InChI: InChI=1/C24H28N2O6/c1-24(2,3)32-22(29)25-12-13-26(14-21(27)28)23(30)31-15-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,20H,12-15H2,1-3H3,(H,25,29)(H,27,28)
(3) InChIKey: SMLJSDLXJRGOKW-UHFFFAOYAC