CAS No.64701-47-9,1-Pyrenedecanoic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	64701-47-9
Name:	1-Pyrenedecanoic acid
Article Data:	5

Formula:	C₂₆H₂₈O₂
Molecular Weight:	372.507
Synonyms:	10-(1-Pyrene)decanoicacid;10-(1-Pyrenyl)decanoic acid;
Density:	1.158 g/cm³
Boiling Point:	576.4 °C at 760 mmHg
Flash Point:	472.6 °C
Safety:	22-24/25
PSA:	37.30000
LogP:	7.33190

Synthetic route

: 228243-58-1
pyrenoylnonanoic acid methyl ester

: 64701-47-9
10-(1-pyrenyl)decanoic acid

Conditions

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

Conditions	Yield
With potassium hydroxide; hydrazine hydrate In diethylene glycol at 162 - 178℃; for 4h;	86%

: 129-00-0
pyrene

: 693-55-0
monoethyl sebacate

: 64701-47-9
10-(1-pyrenyl)decanoic acid

Conditions

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

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

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

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

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

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

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

Conditions	Yield
With dicyclohexyl-carbodiimide In dichloromethane Esterification;	94%

Raw Materials

111-20-6

818-88-2

6946-46-9

129-00-0

693-55-0

14065-32-8

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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^-24cm³; (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.

The 1-Pyrenedecanoic acid could be obtained by the reactant of w-Pyrenoylnonansaeure-ethylester.

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 %.

The 1-Pyrenedecanoic acid could react with 4-nitro-phenol, and obtain the 10-pyren-1-yl-decanoic acid 4-nitro-phenyl ester.

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