Product Name

  • Name

    1-Pyrenedecanoic acid

  • EINECS
  • CAS No. 64701-47-9
  • Article Data5
  • CAS DataBase
  • Density 1.158 g/cm3
  • Solubility
  • Melting Point
  • Formula C26H28O2
  • Boiling Point 576.4 °C at 760 mmHg
  • Molecular Weight 372.507
  • Flash Point 472.6 °C
  • Transport Information
  • Appearance
  • Safety 22-24/25
  • Risk Codes
  • Molecular Structure Molecular Structure of 64701-47-9 (1-Pyrenedecanoic acid)
  • Hazard Symbols
  • Synonyms 10-(1-Pyrene)decanoicacid;10-(1-Pyrenyl)decanoic acid;
  • PSA 37.30000
  • LogP 7.33190

Synthetic route

pyrenoylnonanoic acid methyl ester
228243-58-1

pyrenoylnonanoic acid methyl ester

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

10-(1-pyrenyl)decanoic acid

Conditions
ConditionsYield
With potassium hydroxide; hydrazine hydrate In ethylene glycol Kischner-Wolf reaction;89%
1-(9-carbethoxy-1-oxononanyl)pyrene
70700-34-4

1-(9-carbethoxy-1-oxononanyl)pyrene

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

10-(1-pyrenyl)decanoic acid

Conditions
ConditionsYield
With potassium hydroxide; hydrazine hydrate In diethylene glycol at 162 - 178℃; for 4h;86%
pyrene
129-00-0

pyrene

monoethyl sebacate
693-55-0

monoethyl sebacate

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

10-(1-pyrenyl)decanoic acid

Conditions
ConditionsYield
2.) Wolf-Kischner reduction; Multistep reaction;
3,5-Dinitro-benzoic acid (E)-(15R,16S)-15,17-dihydroxy-16-(10-pyren-1-yl-decanoylamino)-heptadec-13-enyl ester
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

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

10-(1-pyrenyl)decanoic acid

B

(4E,2S,3R)-2-amino-1,3,17-trihydroxy-17-(3,5-dinitrobenzoyl)-4-heptadecene
448211-01-6

(4E,2S,3R)-2-amino-1,3,17-trihydroxy-17-(3,5-dinitrobenzoyl)-4-heptadecene

Conditions
ConditionsYield
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;
methyl 10-chloro-10-oxodecanoate
14065-32-8

methyl 10-chloro-10-oxodecanoate

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

10-(1-pyrenyl)decanoic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 48.9 percent / AlCl3 / CH2Cl2
2: 89 percent / hydrazine hydrate; KOH / ethane-1,2-diol
View Scheme
sebacic acid mono methyl ester
818-88-2

sebacic acid mono methyl ester

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

10-(1-pyrenyl)decanoic acid

Conditions
ConditionsYield
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
1,10-decanedioic acid
111-20-6

1,10-decanedioic acid

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

10-(1-pyrenyl)decanoic acid

Conditions
ConditionsYield
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
monoethyl sebacate
693-55-0

monoethyl sebacate

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

10-(1-pyrenyl)decanoic acid

Conditions
ConditionsYield
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
9-ethoxycarbonylnonanoic acid chloride
6946-46-9

9-ethoxycarbonylnonanoic acid chloride

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

10-(1-pyrenyl)decanoic acid

Conditions
ConditionsYield
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
4-nitro-phenol
100-02-7

4-nitro-phenol

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

10-(1-pyrenyl)decanoic acid

10-(1-pyrenyl)decanoic acid p-nitrophenyl ester
228243-59-2

10-(1-pyrenyl)decanoic acid p-nitrophenyl ester

Conditions
ConditionsYield
With dicyclohexyl-carbodiimide In dichloromethane Esterification;94%
2,3,4,5,6-pentafluorophenol
771-61-9

2,3,4,5,6-pentafluorophenol

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

10-(1-pyrenyl)decanoic acid

10-(1-pyrenyl)decanoic acid pentafluorophenyl ester
228243-60-5

10-(1-pyrenyl)decanoic acid pentafluorophenyl ester

Conditions
ConditionsYield
With dicyclohexyl-carbodiimide In dichloromethane Esterification;91.9%
10-(1-pyrenyl)decanoic acid
64701-47-9

10-(1-pyrenyl)decanoic acid

Pyrendecanoylchlorid
70796-35-9

Pyrendecanoylchlorid

Conditions
ConditionsYield
With thionyl chloride In Petroleum ether at 40 - 60℃; for 9h;
10-(1-pyrenyl)decanoic acid
64701-47-9

10-(1-pyrenyl)decanoic acid

3-O-benzoyl-2-N-(4-(1-pyrenyl)decanoyl)-D,L-erythro-sphinganine

3-O-benzoyl-2-N-(4-(1-pyrenyl)decanoyl)-D,L-erythro-sphinganine

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 94 percent / dicyclohexylcarbodiimide / CH2Cl2
2: 55.1 percent / pyridine; Et3N / 5 h / 20 °C
View Scheme
Multi-step reaction with 2 steps
1: 91.9 percent / dicyclohexylcarbodiimide / CH2Cl2
2: 49 percent / pyridine / 20 °C
View Scheme
10-(1-pyrenyl)decanoic acid
64701-47-9

10-(1-pyrenyl)decanoic acid

3-O-benzoyl-2-N-(4-(1-pyrenyl)decanoyl)-D,L-erythro-sphinganine-1-O-(N,N-diisopropylamino)-2-cyanoethylphosphine

3-O-benzoyl-2-N-(4-(1-pyrenyl)decanoyl)-D,L-erythro-sphinganine-1-O-(N,N-diisopropylamino)-2-cyanoethylphosphine

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 94 percent / dicyclohexylcarbodiimide / CH2Cl2
2: 55.1 percent / pyridine; Et3N / 5 h / 20 °C
3: 75.9 percent / diisopropylammonium tetrazolide / CH2Cl2; acetonitrile
View Scheme
Multi-step reaction with 3 steps
1: 91.9 percent / dicyclohexylcarbodiimide / CH2Cl2
2: 49 percent / pyridine / 20 °C
3: 75.9 percent / diisopropylammonium tetrazolide / CH2Cl2; acetonitrile
View Scheme
10-(1-pyrenyl)decanoic acid
64701-47-9

10-(1-pyrenyl)decanoic acid

2-N-(4-(1-pyrenyl)decanoyl)-D,L-erythro-sphinganine-1-O-phospho-5'-thymidine

2-N-(4-(1-pyrenyl)decanoyl)-D,L-erythro-sphinganine-1-O-phospho-5'-thymidine

Conditions
ConditionsYield
Multi-step reaction with 7 steps
1: 94 percent / dicyclohexylcarbodiimide / CH2Cl2
2: 55.1 percent / pyridine; Et3N / 5 h / 20 °C
3: 75.9 percent / diisopropylammonium tetrazolide / CH2Cl2; acetonitrile
4: 1H-tetrazole / CH2Cl2; acetonitrile / 0.5 h / 20 °C
5: tert-butyl hydroperoxide / CH2Cl2; acetonitrile / 0.67 h
6: 54.5 percent / toluene / 4 h / 20 °C
7: 89.9 percent / 0.2 N MeONa / diethyl ether; methanol / 1 h / 20 °C
View Scheme
Multi-step reaction with 7 steps
1: 91.9 percent / dicyclohexylcarbodiimide / CH2Cl2
2: 49 percent / pyridine / 20 °C
3: 75.9 percent / diisopropylammonium tetrazolide / CH2Cl2; acetonitrile
4: 1H-tetrazole / CH2Cl2; acetonitrile / 0.5 h / 20 °C
5: tert-butyl hydroperoxide / CH2Cl2; acetonitrile / 0.67 h
6: 54.5 percent / toluene / 4 h / 20 °C
7: 89.9 percent / 0.2 N MeONa / diethyl ether; methanol / 1 h / 20 °C
View Scheme
10-(1-pyrenyl)decanoic acid
64701-47-9

10-(1-pyrenyl)decanoic acid

Benzoic acid 1-[2-[[(2R,3S,5R)-3-acetoxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethoxy]-(2-cyano-ethoxy)-phosphanyloxy]-1-(10-pyren-1-yl-decanoylamino)-ethyl]-hexadecyl ester

Benzoic acid 1-[2-[[(2R,3S,5R)-3-acetoxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethoxy]-(2-cyano-ethoxy)-phosphanyloxy]-1-(10-pyren-1-yl-decanoylamino)-ethyl]-hexadecyl ester

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: 94 percent / dicyclohexylcarbodiimide / CH2Cl2
2: 55.1 percent / pyridine; Et3N / 5 h / 20 °C
3: 75.9 percent / diisopropylammonium tetrazolide / CH2Cl2; acetonitrile
4: 1H-tetrazole / CH2Cl2; acetonitrile / 0.5 h / 20 °C
View Scheme
Multi-step reaction with 4 steps
1: 91.9 percent / dicyclohexylcarbodiimide / CH2Cl2
2: 49 percent / pyridine / 20 °C
3: 75.9 percent / diisopropylammonium tetrazolide / CH2Cl2; acetonitrile
4: 1H-tetrazole / CH2Cl2; acetonitrile / 0.5 h / 20 °C
View Scheme
10-(1-pyrenyl)decanoic acid
64701-47-9

10-(1-pyrenyl)decanoic acid

Benzoic acid 1-[2-[[(2R,3S,5R)-3-acetoxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethoxy]-(2-cyano-ethoxy)-phosphoryloxy]-1-(10-pyren-1-yl-decanoylamino)-ethyl]-hexadecyl ester

Benzoic acid 1-[2-[[(2R,3S,5R)-3-acetoxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethoxy]-(2-cyano-ethoxy)-phosphoryloxy]-1-(10-pyren-1-yl-decanoylamino)-ethyl]-hexadecyl ester

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: 94 percent / dicyclohexylcarbodiimide / CH2Cl2
2: 55.1 percent / pyridine; Et3N / 5 h / 20 °C
3: 75.9 percent / diisopropylammonium tetrazolide / CH2Cl2; acetonitrile
4: 1H-tetrazole / CH2Cl2; acetonitrile / 0.5 h / 20 °C
5: tert-butyl hydroperoxide / CH2Cl2; acetonitrile / 0.67 h
View Scheme
Multi-step reaction with 5 steps
1: 91.9 percent / dicyclohexylcarbodiimide / CH2Cl2
2: 49 percent / pyridine / 20 °C
3: 75.9 percent / diisopropylammonium tetrazolide / CH2Cl2; acetonitrile
4: 1H-tetrazole / CH2Cl2; acetonitrile / 0.5 h / 20 °C
5: tert-butyl hydroperoxide / CH2Cl2; acetonitrile / 0.67 h
View Scheme
10-(1-pyrenyl)decanoic acid
64701-47-9

10-(1-pyrenyl)decanoic acid

3-O-benzoyl-2-N-(4-(1-pyrenyl)decanoyl)-D,L-erythro-sphinganine-1-O-phospho-5'-(3'-O-acetyl)thymidine triethylammonium salt

3-O-benzoyl-2-N-(4-(1-pyrenyl)decanoyl)-D,L-erythro-sphinganine-1-O-phospho-5'-(3'-O-acetyl)thymidine triethylammonium salt

Conditions
ConditionsYield
Multi-step reaction with 6 steps
1: 94 percent / dicyclohexylcarbodiimide / CH2Cl2
2: 55.1 percent / pyridine; Et3N / 5 h / 20 °C
3: 75.9 percent / diisopropylammonium tetrazolide / CH2Cl2; acetonitrile
4: 1H-tetrazole / CH2Cl2; acetonitrile / 0.5 h / 20 °C
5: tert-butyl hydroperoxide / CH2Cl2; acetonitrile / 0.67 h
6: 54.5 percent / toluene / 4 h / 20 °C
View Scheme
Multi-step reaction with 6 steps
1: 91.9 percent / dicyclohexylcarbodiimide / CH2Cl2
2: 49 percent / pyridine / 20 °C
3: 75.9 percent / diisopropylammonium tetrazolide / CH2Cl2; acetonitrile
4: 1H-tetrazole / CH2Cl2; acetonitrile / 0.5 h / 20 °C
5: tert-butyl hydroperoxide / CH2Cl2; acetonitrile / 0.67 h
6: 54.5 percent / toluene / 4 h / 20 °C
View Scheme
10-(1-pyrenyl)decanoic acid
64701-47-9

10-(1-pyrenyl)decanoic acid

ethyl ω-(1-pyreno)decanoate
73116-44-6

ethyl ω-(1-pyreno)decanoate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: SOCl2 / petroleum ether / 9 h / 40 - 60 °C
2: petroleum ether
View Scheme
10-(1-pyrenyl)decanoic acid
64701-47-9

10-(1-pyrenyl)decanoic acid

C10H24O3Si

C10H24O3Si

C36H50O4Si

C36H50O4Si

Conditions
ConditionsYield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane

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.

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

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