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1-Tridecanone,1-phenyl-
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Name

1-Tridecanone,1-phenyl-

 EINECS N/A
CAS No. 6005-99-8 Density 0.907g/cm3
PSA 17.07000 LogP 6.18030
Solubility N/A Melting Point 42 °C
Formula C19H30O Boiling Point 374.5 °C at 760 mmHg
Molecular Weight 274.447 Flash Point 142 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 6005-99-8 (N-TRIDECANOPHENONE) Hazard Symbols N/A
Synonyms

Tridecanophenone(8CI);Dodecyl phenyl ketone;

Article Data 22

1-Tridecanone,1-phenyl- Synthetic route

(tridec-1-ynyl)benzene

6005-99-8

1-phenyltridecan-1-one

Conditions
ConditionsYield
With iron(III) trifluoromethanesulfonate; trifluorormethanesulfonic acid In tetrahydrofuran at 100℃; for 12h; Schlenk technique; Inert atmosphere;98%

C31H52O2

6005-99-8

1-phenyltridecan-1-one

Conditions
ConditionsYield
With iron(III) trifluoromethanesulfonate; trifluorormethanesulfonic acid In tetrahydrofuran at 100℃; for 12h; Reagent/catalyst; Schlenk technique; Inert atmosphere;96%
22986-80-7

2-hydroxy-2-phenyltetradecanoic acid

6005-99-8

1-phenyltridecan-1-one

Conditions
ConditionsYield
With (NMe4)*2H2O*CH3CN (L = ortho-phenylenebis(N'-methyloxamidate)); oxygen; pivalaldehyde In acetonitrile for 2h; Ambient temperature;95%
With (NMe4)Co(III)Me2opba*2H2O*CH3CN; oxygen; pivalaldehyde In acetonitrile for 2h;95%
With oxygen; pivalaldehyde; Co(III) ortho-phenylene-bis(N'-methyloxamidate) In acetonitrile at 20℃;95%
112-41-4

1-dodecene

3-phenyl-propenal

3-phenyl-propenal

A

2345-27-9

tetradecan-2-one

B

1-phenyltridecan-1-one

1-phenyltridecan-1-one

Conditions
ConditionsYield
Stage #1: 1-dodecene; 3-phenyl-propenal With 3-methylpyridin-2-ylamine; Wilkinson's catalyst; 4-trifluoromethylbenzoic acid; cyclohexylamine In toluene at 130℃; for 12h;
Stage #2: With hydrogenchloride; water In tetrahydrofuran		A 92%
B 91%
1-dodecene

1-dodecene

100-52-7

benzaldehyde

6005-99-8

1-phenyltridecan-1-one

Conditions
ConditionsYield
With dipotassium peroxodisulfate; methylene blue; potassium carbonate In water at 25℃; for 12h; Irradiation; Green chemistry;82%
112-53-8

1-dodecyl alcohol

98-86-2

acetophenone

6005-99-8

1-phenyltridecan-1-one

Conditions
ConditionsYield
With Mg-Al hydrotalcite; chloro[N-[4-(dimethylamino)phenyl]-2-pyridinecarboxamidato](pentamethylcyclopentadienyl)iridium In 5,5-dimethyl-1,3-cyclohexadiene at 160℃; for 8h; Schlenk technique;80%
105-74-8

dilauryl peroxide

536-74-3

phenylacetylene

6005-99-8

1-phenyltridecan-1-one

Conditions
ConditionsYield
With iron(III) trifluoromethanesulfonate; trifluorormethanesulfonic acid In tetrahydrofuran at 60 - 100℃; for 13h; Catalytic behavior; Reagent/catalyst; Solvent; Temperature; Schlenk technique; Inert atmosphere; Sealed tube;78%
123-02-4

tridecylbenzene

6005-99-8

1-phenyltridecan-1-one

Conditions
ConditionsYield
With tert.-butylnitrite; N-hydroxyphthalimide In acetonitrile at 80℃; for 24h; Schlenk technique;70%
98-88-4

benzoyl chloride

143-15-7

1-dodecylbromide

6005-99-8

1-phenyltridecan-1-one

Conditions
ConditionsYield
With manganese; ethylene dibromide In tetrahydrofuran Product distribution; 1.) 0 deg C to rt, 1 h; 2.) 0 deg C, 20 min; 3.) rt, 30 min; coupling of benzoyl chloride with organomanganese bromides;68%
With manganese; ethylene dibromide In tetrahydrofuran 1.) 0 deg C to rt, 1 h; 2.) 0 deg C, 20 min; 3.) rt, 30 min;68%
1851-92-9, 132362-82-4

1-hydroxytridecylbenzene

6005-99-8

1-phenyltridecan-1-one

Conditions
ConditionsYield
With thio-xanthene-9-one In dimethyl sulfoxide for 18h; Irradiation; Green chemistry; chemoselective reaction;66%
at 30℃; for 48h; by Corynebacterium equi IFO 3730;91 % Chromat.

1-Tridecanone,1-phenyl- Specification

The 1-Tridecanone,1-phenyl-, with CAS registry number 6005-99-8, has the systematic name of 1-phenyltridecan-1-one. Besides this, it is also called N-Tridecanophenone. And the chemical formula of this chemical is C19H30O. Its molecular weight is 274.44.

Physical properties of 1-Tridecanone,1-phenyl-: (1)ACD/LogP: 7.51; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.51; (4)ACD/LogD (pH 7.4): 7.51; (5)ACD/BCF (pH 5.5): 300219.84; (6)ACD/BCF (pH 7.4): 300219.84; (7)ACD/KOC (pH 5.5): 289951.31; (8)ACD/KOC (pH 7.4): 289951.31; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.488; (14)Molar Refractivity: 87.24 cm3; (15)Molar Volume: 302.5 cm3; (16)Polarizability: 34.58×10-24cm3; (17)Surface Tension: 33.9 dyne/cm; (18)Density: 0.907 g/cm3; (19)Flash Point: 142 °C; (20)Enthalpy of Vaporization: 62.19 kJ/mol; (21)Boiling Point: 374.5 °C at 760 mmHg; (22)Vapour Pressure: 8.29E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-hydroxy-2-phenyl-tetradecanoic acid. This reaction will need reagents (NMe4)Co(III)Me2opba.2H2O.CH3CN, pivalaldehyde, O2 and splvent acetonitrile. The reaction time is 2 hour(s). The yield is about 95%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccccc1)CCCCCCCCCCCC
(2)InChI: InChI=1/C19H30O/c1-2-3-4-5-6-7-8-9-10-14-17-19(20)18-15-12-11-13-16-18/h11-13,15-16H,2-10,14,17H2,1H3
(3)InChIKey: ZZNDQCACFUJAKJ-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C19H30O/c1-2-3-4-5-6-7-8-9-10-14-17-19(20)18-15-12-11-13-16-18/h11-13,15-16H,2-10,14,17H2,1H3
(5)Std. InChIKey: ZZNDQCACFUJAKJ-UHFFFAOYSA-N

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