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Cas Database |
| Name |
1-Pyrenedecanoic acid |
EINECS | N/A |
| CAS No. | 64701-47-9 | Density | 1.158 g/cm3 |
| PSA | 37.30000 | LogP | 7.33190 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C26H28O2 | Boiling Point | 576.4 °C at 760 mmHg |
| Molecular Weight | 372.507 | Flash Point | 472.6 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 22-24/25 | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
10-(1-Pyrene)decanoicacid;10-(1-Pyrenyl)decanoic acid; |
Article Data | 5 |
1-Pyrenedecanoic acid Synthetic route
- 228243-58-1
pyrenoylnonanoic acid methyl ester
- 64701-47-9
10-(1-pyrenyl)decanoic acid
| Conditions | Yield |
|---|---|
| With potassium hydroxide; hydrazine hydrate In ethylene glycol Kischner-Wolf reaction; | 89% |
- 70700-34-4
1-(9-carbethoxy-1-oxononanyl)pyrene
- 64701-47-9
10-(1-pyrenyl)decanoic acid
| Conditions | Yield |
|---|---|
| With potassium hydroxide; hydrazine hydrate In diethylene glycol at 162 - 178℃; for 4h; | 86% |
| Conditions | Yield |
|---|---|
| 2.) Wolf-Kischner reduction; Multistep reaction; |
- 448210-97-7
3,5-Dinitro-benzoic acid (E)-(15R,16S)-15,17-dihydroxy-16-(10-pyren-1-yl-decanoylamino)-heptadec-13-enyl ester
A
- 64701-47-9
10-(1-pyrenyl)decanoic acid
B
- 448211-01-6
(4E,2S,3R)-2-amino-1,3,17-trihydroxy-17-(3,5-dinitrobenzoyl)-4-heptadecene
| Conditions | Yield |
|---|---|
| With ceramidase from Pseudomonas aeruginosa PA01; calcium chloride; Triton X-100 In water at 30℃; for 0.333333h; pH=8.5; Enzyme kinetics; Further Variations:; pH-values; Reagents; |
- 14065-32-8
methyl 10-chloro-10-oxodecanoate
- 64701-47-9
10-(1-pyrenyl)decanoic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 48.9 percent / AlCl3 / CH2Cl2 2: 89 percent / hydrazine hydrate; KOH / ethane-1,2-diol View Scheme |
- 818-88-2
sebacic acid mono methyl ester
- 64701-47-9
10-(1-pyrenyl)decanoic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: oxalyl chloride 2: 48.9 percent / AlCl3 / CH2Cl2 3: 89 percent / hydrazine hydrate; KOH / ethane-1,2-diol View Scheme |
- 111-20-6
1,10-decanedioic acid
- 64701-47-9
10-(1-pyrenyl)decanoic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1: 82 percent / diethyl sebacate, HCl / dibutyl ether 2: 93 percent / thionyl chloride / petroleum ether 3: 62 percent / AlCl3 / CS2 / 1.) 0 deg C, 1 h, 2.) 25 deg C, 11 h 4: 86 percent / potassium hydroxide, hydrazine hydrate / bis-(2-hydroxy-ethyl) ether / 4 h / 162 - 178 °C View Scheme |
- 693-55-0
monoethyl sebacate
- 64701-47-9
10-(1-pyrenyl)decanoic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: 93 percent / thionyl chloride / petroleum ether 2: 62 percent / AlCl3 / CS2 / 1.) 0 deg C, 1 h, 2.) 25 deg C, 11 h 3: 86 percent / potassium hydroxide, hydrazine hydrate / bis-(2-hydroxy-ethyl) ether / 4 h / 162 - 178 °C View Scheme |
- 6946-46-9
9-ethoxycarbonylnonanoic acid chloride
- 64701-47-9
10-(1-pyrenyl)decanoic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 62 percent / AlCl3 / CS2 / 1.) 0 deg C, 1 h, 2.) 25 deg C, 11 h 2: 86 percent / potassium hydroxide, hydrazine hydrate / bis-(2-hydroxy-ethyl) ether / 4 h / 162 - 178 °C View Scheme |
- 100-02-7
4-nitro-phenol
- 64701-47-9
10-(1-pyrenyl)decanoic acid
- 228243-59-2
10-(1-pyrenyl)decanoic acid p-nitrophenyl ester
| Conditions | Yield |
|---|---|
| With dicyclohexyl-carbodiimide In dichloromethane Esterification; | 94% |
1-Pyrenedecanoic acid Specification
This chemical is called 1-Pyrenedecanoic acid, and its systematic name is 10-(pyren-1-yl)decanoic acid. With the molecular formula of C26H28O2, its molecular weight is 372.5. The CAS registry number of this chemical is 64701-47-9. In addition, this chemical should be stored at the temperature of -20 °C.
Other characteristics of the chemical can be summarised as followings: (1)ACD/LogP: 8.31; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.51; (4)ACD/LogD (pH 7.4): 5.72; (5)ACD/BCF (pH 5.5): 194482.84; (6)ACD/BCF (pH 7.4): 3119.77; (7)ACD/KOC (pH 5.5): 126183.81; (8)ACD/KOC (pH 7.4): 2024.16; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.673; (14)Molar Refractivity: 120.64 cm3; (15)Molar Volume: 321.4 cm3; (16)Polarizability: 47.82×10-24 cm3; (17)Surface Tension: 52.7 dyne/cm; (18)Density: 1.158 g/cm3; (19)Flash Point: 472.6 °C; (20)Enthalpy of Vaporization: 90.79 kJ/mol; (21)Boiling Point: 576.4 °C at 760 mmHg; (22)Vapour Pressure: 3.99E-14 mmHg at 25 °C.
Production method of this chemical: The 1-Pyrenedecanoic acid could be obtained by the reactant of w-Pyrenoylnonansaeure-ethylester. This reaction needs the reagents of potassium hydroxide and hydrazine hydrate, and the solvent of bis-(2-hydroxy-ethyl) ether. The yield is 86 %. In addition, this reaction should be taken for 4 hours at the temperature of 162 - 178 °C.
Uses of this chemical: The 1-Pyrenedecanoic acid could react with 4-nitro-phenol, and obtain the 10-pyren-1-yl-decanoic acid 4-nitro-phenyl ester. This reaction needs the reagent of dicyclohexylcarbodiimide, and the solvent of CH2Cl2. The yield is 94 %.
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When you are using this chemical, please be cautious about it as the following: Do not breathe dust. Avoid contacting with skin and eyes.
You can still convert the following datas into molecular structure:
1.SMILES:O=C(O)CCCCCCCCCc4ccc2ccc1cccc3c1c2c4cc3
2.InChI:InChI=1/C26H28O2/c27-24(28)12-7-5-3-1-2-4-6-9-19-13-14-22-16-15-20-10-8-11-21-17-18-23(19)26(22)25(20)21/h8,10-11,13-18H,1-7,9,12H2,(H,27,28)
3.InChIKey: PIMKEUIWMFJVNB-UHFFFAOYAN
4.Std. InChI: InChI=1S/C26H28O2/c27-24(28)12-7-5-3-1-2-4-6-9-19-13-14-22-16-15-20-10-8-11-21-17-18-23(19)26(22)25(20)21/h8,10-11,13-18H,1-7,9,12H2,(H,27,28)
5.Std. InChIKey: PIMKEUIWMFJVNB-UHFFFAOYSA-N
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