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| CAS No.: | 123622-48-0 |
|---|---|
| Name: | FMOC-5-AMINOPENTANOIC ACID |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C20H21NO4 |
| Molecular Weight: | 339.391 |
| Synonyms: | 5-[(Fmoc)amino]pentanoicacid;3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}pentanoic acid;Pentanoic acid, 3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-; |
| Density: | 1.231g/cm3 |
| Melting Point: | 135-136 °C(Solv: ethyl ether (60-29-7); hexane (110-54-3)) |
| Boiling Point: | 562.24 °C at 760 mmHg |
| Flash Point: | 293.832 °C |
| Safety: | 24/25 |
| PSA: | 75.63000 |
| LogP: | 4.17090 |
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Specification
The Pentanoic acid,5-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, with the CAS registry number 123622-48-0, has the systematic name of 3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}pentanoic acid. It belongs to the product category of Amino Acids. And the molecular formula of the chemical is C20H21NO4. What's more, it should be stored at 2-8°C.
The characteristics of Pentanoic acid,5-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]- are as followings: (1)ACD/LogP: 4.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 55; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 272; (8)ACD/KOC (pH 7.4): 4; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 75.63 Å2; (13)Index of Refraction: 1.591; (14)Molar Refractivity: 93.18 cm3; (15)Molar Volume: 275.739 cm3; (16)Polarizability: 36.939×10-24cm3; (17)Surface Tension: 52.344 dyne/cm; (18)Density: 1.231 g/cm3; (19)Flash Point: 293.832 °C; (20)Enthalpy of Vaporization: 88.934 kJ/mol; (21)Boiling Point: 562.24 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
Preparation of Pentanoic acid,5-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-: This chemical can be prepared by 5-amino-pentanoic acid and 9H-fluoren-9-ylmethyl chloroformate. The reaction will need reagent 10% aq. Na2CO3, and the menstruum dioxane. And the yield is about 93%.
Uses of Pentanoic acid,5-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-: It can react with pentafluorophenol to produce FMOC-d-aminovaleric acid pentafluorophenyl ester (FMOC-d-Ava-OPfp). This reaction will need reagent DCC, and the menstruum CH2Cl2. The reaction time is 10 hours, and the yield is about 87%.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OC(=O)CC(CC)NC(=O)OCC3c1ccccc1c2ccccc23
(2)InChI: InChI=1/C20H21NO4/c1-2-13(11-19(22)23)21-20(24)25-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18H,2,11-12H2,1H3,(H,21,24)(H,22,23)
(3)InChIKey: RUDHGDWNJABZLC-UHFFFAOYAS