1-Tridecanone,1-phenyl- supplier

Name
N-TRIDECANOPHENONE
EINECS
CAS No. 6005-99-8
Article Data22
CAS DataBase
Density 0.907g/cm³
Solubility
Melting Point 42 °C
Formula C₁₉H₃₀O
Boiling Point 374.5 °C at 760 mmHg
Molecular Weight 274.447
Flash Point 142 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Tridecanophenone(8CI);Dodecyl phenyl ketone;
PSA 17.07000
LogP 6.18030

Synthetic route

: (tridec-1-ynyl)benzene

: 6005-99-8
1-phenyltridecan-1-one

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
With (NMe4)2H2OCH3CN (L = ortho-phenylenebis(N'-methyloxamidate)); oxygen; pivalaldehyde In acetonitrile for 2h; Ambient temperature;	95%
With (NMe4)Co(III)Me2opba2H2OCH3CN; 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

Conditions	Yield
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%

...Expand

1-dodecene: 1-dodecene

: 100-52-7
benzaldehyde

: 6005-99-8
1-phenyltridecan-1-one

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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.

: 112-41-4
1-dodecene

: 15174-47-7
α-methyl-trans-cinnamaldehyde

A: 18787-66-1
pentadecan-3-one

B: 6005-99-8
1-phenyltridecan-1-one

Conditions

Conditions	Yield
Stage #1: 1-dodecene; α-methyl-trans-cinnamaldehyde 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 60% B 60%

...Expand

: 2-methyl-1-phenylcyclododecanol

: 6005-99-8
1-phenyltridecan-1-one

Conditions

Conditions	Yield
at 630℃; under 1.50012 Torr;	43%

10-Undecen-1-ol: 10-Undecen-1-ol

acetophenone: acetophenone

: 6005-99-8
1-phenyltridecan-1-one

Conditions

Conditions	Yield
With potassium phosphate In neat (no solvent) at 175℃; for 24h; Sealed tube;	16%

: 15890-72-9
laurylmagnesium bromide

: 100-47-0
benzonitrile

: 6005-99-8
1-phenyltridecan-1-one

: 17746-06-4
n-tridecanoyl chloride

: 71-43-2
benzene

: 6005-99-8
1-phenyltridecan-1-one

Conditions

Conditions	Yield
With aluminium trichloride
With aluminum (III) chloride for 3h; Friedel Crafts acylation; Reflux; Cooling with ice;
Friedel-Crafts Acylation;

: 77815-56-6
Trimethyl-(1-phenyl-1-phenylsulfanyl-tridecyloxy)-silane

: 6005-99-8
1-phenyltridecan-1-one

Conditions

Conditions	Yield
With aqueous acid Yield given;

: 112-41-4
1-dodecene

: 98-88-4
benzoyl chloride

: 6005-99-8
1-phenyltridecan-1-one

Conditions

Conditions	Yield
With dichloroaluminum hydride; triethyl borane 1) 1,2-dichloroethane, RT, 1 h, 2) -25 deg C, 2 h; Yield given. Multistep reaction;

: 4292-19-7
1-Iodododecane

: 98-88-4
benzoyl chloride

: 6005-99-8
1-phenyltridecan-1-one

Conditions

Conditions	Yield
With copper; zinc; tetrakis(triphenylphosphine) palladium(0) 1.) benzene, DMF, RT, 1h, 60 C, 3-4h; 2.) benzene, RT; Yield given. Multistep reaction;

: 611-71-2, 611-72-3, 17199-29-0, 90-64-2
MANDELIC ACID

: 6005-99-8
1-phenyltridecan-1-one

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: 65 percent / H2SO4 / toluene / 24 h / 20 °C 2.1: n-BuLi; iPr2NH / hexane; tetrahydrofuran / 0.5 h / -78 °C 2.2: 65 percent / HMPA / hexane; tetrahydrofuran / 4 h / -78 - 20 °C 3.1: 100 percent / KOH / ethanol / 2 h / 20 °C 4.1: 95 percent / pivalaldehyde; O2 / Co(III)-Me2opba / acetonitrile / 20 °C View Scheme

: 6337-34-4
2,2-dimethyl-5-phenyl-1,3-dioxolan-4-one

: 6005-99-8
1-phenyltridecan-1-one

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: n-BuLi; iPr2NH / hexane; tetrahydrofuran / 0.5 h / -78 °C 1.2: 65 percent / HMPA / hexane; tetrahydrofuran / 4 h / -78 - 20 °C 2.1: 100 percent / KOH / ethanol / 2 h / 20 °C 3.1: 95 percent / pivalaldehyde; O2 / Co(III)-Me2opba / acetonitrile / 20 °C View Scheme

: 830341-88-3
5-dodecyl-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-one

: 6005-99-8
1-phenyltridecan-1-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 100 percent / KOH / ethanol / 2 h / 20 °C 2: 95 percent / pivalaldehyde; O2 / Co(III)-Me2opba / acetonitrile / 20 °C View Scheme

: 4358-87-6
(RS)-methyl mandelate

XCH2CO2Me: XCH2CO2Me

: 6005-99-8
1-phenyltridecan-1-one

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: LDA / tetrahydrofuran / -78 - 20 °C 2: KOH / ethanol / 20 °C 3: 95 percent / (NMe4)Co(III)Me2opba2H2OCH3CN; pivalaldehyde; O2 / acetonitrile / 2 h View Scheme

: 334927-76-3
methyl 2-hydroxy-2-phenyltetradecanoate

: 6005-99-8
1-phenyltridecan-1-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: KOH / ethanol / 20 °C 2: 95 percent / (NMe4)Co(III)Me2opba2H2OCH3CN; pivalaldehyde; O2 / acetonitrile / 2 h View Scheme
Multi-step reaction with 2 steps 1: NaOH 2: 95 percent / O2, pivalaldehyde, (NMe4)2H2OCH3CN (L = ortho-phenylenebis(N'-methyloxamidate)) / acetonitrile / 2 h / Ambient temperature View Scheme

: 4292-19-7
1-Iodododecane

: 6005-99-8
1-phenyltridecan-1-one

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: LDA 2: NaOH 3: 95 percent / O2, pivalaldehyde, (NMe4)2H2OCH3CN (L = ortho-phenylenebis(N'-methyloxamidate)) / acetonitrile / 2 h / Ambient temperature View Scheme

: 4358-87-6
(RS)-methyl mandelate

: 6005-99-8
1-phenyltridecan-1-one

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: LDA 2: NaOH 3: 95 percent / O2, pivalaldehyde, (NMe4)2H2OCH3CN (L = ortho-phenylenebis(N'-methyloxamidate)) / acetonitrile / 2 h / Ambient temperature View Scheme
Multi-step reaction with 3 steps 1: LDA 2: NaOH 3: 95 percent / O2, pivalaldehyde, (NMe4)2H2OCH3CN (L = ortho-phenylenebis(N'-methyloxamidate)) / acetonitrile / 2 h / Ambient temperature View Scheme

: 143-15-7
1-dodecylbromide

sodium-<5.6.7.8-tetrahydro-naphtholate-(1)>: sodium-<5.6.7.8-tetrahydro-naphtholate-(1)>

: 6005-99-8
1-phenyltridecan-1-one

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: LDA 2: NaOH 3: 95 percent / O2, pivalaldehyde, (NMe4)2H2OCH3CN (L = ortho-phenylenebis(N'-methyloxamidate)) / acetonitrile / 2 h / Ambient temperature View Scheme

: 831-91-4
Benzyl phenyl sulfide

: 6005-99-8
1-phenyltridecan-1-one

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: 1) n-butyllithium - N,N,N'N'-tetramethylethylenediamine / 1) THF, -78 deg C 2: n-butyllithium - N,N,N'N'-tetramethylethylenediamine complex / hexane, 0 deg C 3: m-chloroperbenzoic acid / CH2Cl2 4: benzene / Heating 5: aqueous acid View Scheme

: 67274-35-5, 321038-62-4
trimethylsilane

: 6005-99-8
1-phenyltridecan-1-one

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: n-butyllithium - N,N,N'N'-tetramethylethylenediamine complex / hexane, 0 deg C 2: m-chloroperbenzoic acid / CH2Cl2 3: benzene / Heating 4: aqueous acid View Scheme

: 100-39-0
benzyl bromide

: 6005-99-8
1-phenyltridecan-1-one

Conditions

Conditions	Yield
Multi-step reaction with 6 steps 1: 95 percent / ethanol 2: 1) n-butyllithium - N,N,N'N'-tetramethylethylenediamine / 1) THF, -78 deg C 3: n-butyllithium - N,N,N'N'-tetramethylethylenediamine complex / hexane, 0 deg C 4: m-chloroperbenzoic acid / CH2Cl2 5: benzene / Heating 6: aqueous acid View Scheme

: 77815-49-7
1-phenyl-1-phenylthio-1-trimethylsilyltridecane

: 6005-99-8
1-phenyltridecan-1-one

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: m-chloroperbenzoic acid / CH2Cl2 2: benzene / Heating 3: aqueous acid View Scheme

: 6005-99-8
1-phenyltridecan-1-one

: 132362-82-4
(S)-1-phenyl-1-tridecanol

Conditions

Conditions	Yield
Stage #1: 1-phenyltridecan-1-one With dimethylsulfide borane complex; (3aR)-1-methyl-3,3-diphenyl-tetrahydro-pyrrolo[1,2-c][1,3,2]oxazaborole In tetrahydrofuran; toluene at 0 - 20℃; for 1.66667h; Inert atmosphere; Stage #2: With hydrogenchloride In tetrahydrofuran; water; toluene Inert atmosphere; optical yield given as %ee; enantioselective reaction;	96%

: 1851-92-9, 132362-82-4
1-hydroxytridecylbenzene

1-phenyltridecan-1-one: 1-phenyltridecan-1-one

Conditions

Conditions	Yield
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.

: 6005-99-8
1-phenyltridecan-1-one

: 1851-92-9, 132362-82-4
1-hydroxytridecylbenzene

Conditions

Conditions	Yield
With lithium aluminium tetrahydride; diethyl ether
With sodium tetrahydroborate In tetrahydrofuran; methanol at 0 - 5℃;

: 6005-99-8
1-phenyltridecan-1-one

: 1-phenyl-tridecan-1-one semicarbazone

: 6005-99-8
1-phenyltridecan-1-one

: 105-36-2
ethyl bromoacetate

: 3-hydroxy-3-phenyl-pentadecanoic acid ethyl ester

Conditions

Conditions	Yield
With zinc

: (tridec-1-ynyl)benzene

: 6005-99-8
1-phenyltridecan-1-one

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
With (NMe4)2H2OCH3CN (L = ortho-phenylenebis(N'-methyloxamidate)); oxygen; pivalaldehyde In acetonitrile for 2h; Ambient temperature;	95%
With (NMe4)Co(III)Me2opba2H2OCH3CN; 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

: 104-55-2
3-phenyl-propenal

A: 2345-27-9
tetradecan-2-one

B: 6005-99-8
1-phenyltridecan-1-one

Conditions

Conditions	Yield
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%

...Expand

: 112-41-4
1-dodecene

: 100-52-7
benzaldehyde

: 6005-99-8
1-phenyltridecan-1-one

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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.

: 112-41-4
1-dodecene

: 15174-47-7
α-methyl-trans-cinnamaldehyde

A: 18787-66-1
pentadecan-3-one

B: 6005-99-8
1-phenyltridecan-1-one

Conditions

Conditions	Yield
Stage #1: 1-dodecene; α-methyl-trans-cinnamaldehyde 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 60% B 60%

...Expand

: 2-methyl-1-phenylcyclododecanol

: 6005-99-8
1-phenyltridecan-1-one

Conditions

Conditions	Yield
at 630℃; under 1.50012 Torr;	43%

: 112-43-6
10-Undecen-1-ol

: 98-86-2
acetophenone

: 6005-99-8
1-phenyltridecan-1-one

Conditions

Conditions	Yield
With potassium phosphate In neat (no solvent) at 175℃; for 24h; Sealed tube;	16%

: 15890-72-9
laurylmagnesium bromide

: 100-47-0
benzonitrile

: 6005-99-8
1-phenyltridecan-1-one

: 17746-06-4
n-tridecanoyl chloride

: 71-43-2
benzene

: 6005-99-8
1-phenyltridecan-1-one

Conditions

Conditions	Yield
With aluminium trichloride
With aluminum (III) chloride for 3h; Friedel Crafts acylation; Reflux; Cooling with ice;
Friedel-Crafts Acylation;

: 77815-56-6
Trimethyl-(1-phenyl-1-phenylsulfanyl-tridecyloxy)-silane

: 6005-99-8
1-phenyltridecan-1-one

Conditions

Conditions	Yield
With aqueous acid Yield given;

: 112-41-4
1-dodecene

: 98-88-4
benzoyl chloride

: 6005-99-8
1-phenyltridecan-1-one

Conditions

Conditions	Yield
With dichloroaluminum hydride; triethyl borane 1) 1,2-dichloroethane, RT, 1 h, 2) -25 deg C, 2 h; Yield given. Multistep reaction;

: 4292-19-7
1-Iodododecane

: 98-88-4
benzoyl chloride

: 6005-99-8
1-phenyltridecan-1-one

Conditions

Conditions	Yield
With copper; zinc; tetrakis(triphenylphosphine) palladium(0) 1.) benzene, DMF, RT, 1h, 60 C, 3-4h; 2.) benzene, RT; Yield given. Multistep reaction;

: 611-71-2, 611-72-3, 17199-29-0, 90-64-2
MANDELIC ACID

: 6005-99-8
1-phenyltridecan-1-one

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: 65 percent / H2SO4 / toluene / 24 h / 20 °C 2.1: n-BuLi; iPr2NH / hexane; tetrahydrofuran / 0.5 h / -78 °C 2.2: 65 percent / HMPA / hexane; tetrahydrofuran / 4 h / -78 - 20 °C 3.1: 100 percent / KOH / ethanol / 2 h / 20 °C 4.1: 95 percent / pivalaldehyde; O2 / Co(III)-Me2opba / acetonitrile / 20 °C View Scheme

: 6337-34-4
2,2-dimethyl-5-phenyl-1,3-dioxolan-4-one

: 6005-99-8
1-phenyltridecan-1-one

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: n-BuLi; iPr2NH / hexane; tetrahydrofuran / 0.5 h / -78 °C 1.2: 65 percent / HMPA / hexane; tetrahydrofuran / 4 h / -78 - 20 °C 2.1: 100 percent / KOH / ethanol / 2 h / 20 °C 3.1: 95 percent / pivalaldehyde; O2 / Co(III)-Me2opba / acetonitrile / 20 °C View Scheme

: 830341-88-3
5-dodecyl-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-one

: 6005-99-8
1-phenyltridecan-1-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 100 percent / KOH / ethanol / 2 h / 20 °C 2: 95 percent / pivalaldehyde; O2 / Co(III)-Me2opba / acetonitrile / 20 °C View Scheme

: 4358-87-6
(RS)-methyl mandelate

XCH2CO2Me: XCH2CO2Me

: 6005-99-8
1-phenyltridecan-1-one

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: LDA / tetrahydrofuran / -78 - 20 °C 2: KOH / ethanol / 20 °C 3: 95 percent / (NMe4)Co(III)Me2opba2H2OCH3CN; pivalaldehyde; O2 / acetonitrile / 2 h View Scheme

: 334927-76-3
methyl 2-hydroxy-2-phenyltetradecanoate

: 6005-99-8
1-phenyltridecan-1-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: KOH / ethanol / 20 °C 2: 95 percent / (NMe4)Co(III)Me2opba2H2OCH3CN; pivalaldehyde; O2 / acetonitrile / 2 h View Scheme
Multi-step reaction with 2 steps 1: NaOH 2: 95 percent / O2, pivalaldehyde, (NMe4)2H2OCH3CN (L = ortho-phenylenebis(N'-methyloxamidate)) / acetonitrile / 2 h / Ambient temperature View Scheme

: 4292-19-7
1-Iodododecane

: 6005-99-8
1-phenyltridecan-1-one

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: LDA 2: NaOH 3: 95 percent / O2, pivalaldehyde, (NMe4)2H2OCH3CN (L = ortho-phenylenebis(N'-methyloxamidate)) / acetonitrile / 2 h / Ambient temperature View Scheme

: 4358-87-6
(RS)-methyl mandelate

: 6005-99-8
1-phenyltridecan-1-one

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: LDA 2: NaOH 3: 95 percent / O2, pivalaldehyde, (NMe4)2H2OCH3CN (L = ortho-phenylenebis(N'-methyloxamidate)) / acetonitrile / 2 h / Ambient temperature View Scheme
Multi-step reaction with 3 steps 1: LDA 2: NaOH 3: 95 percent / O2, pivalaldehyde, (NMe4)2H2OCH3CN (L = ortho-phenylenebis(N'-methyloxamidate)) / acetonitrile / 2 h / Ambient temperature View Scheme

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

Product Name

N-TRIDECANOPHENONE

Synthetic route

1-Tridecanone,1-phenyl- Specification

Related Products

Hot Products