Product Name

  • Name

    1-cyclohexylnaphthalene

  • EINECS 221-247-2
  • CAS No. 3042-69-1
  • Article Data40
  • CAS DataBase
  • Density 1.027 g/cm3
  • Solubility
  • Melting Point 31 °C
  • Formula C16H18
  • Boiling Point 346.7 °C at 760 mmHg
  • Molecular Weight 210.319
  • Flash Point 174.2 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 3042-69-1 (1-cyclohexylnaphthalene)
  • Hazard Symbols
  • Synonyms 1-Cyclohexylnaphthalene;NSC 131573;a-Cyclohexylnaphthalene;Naphthalene, 1-cyclohexyl-;AC1L2QWZ;AC1Q1INS;CID76440;AR-1C2617;
  • PSA 0.00000
  • LogP 4.88750

Synthetic route

1-Bromonaphthalene
90-11-9

1-Bromonaphthalene

cyclohexylmagnesium bromide
931-50-0

cyclohexylmagnesium bromide

1-cyclohexylnaphthalene
3042-69-1

1-cyclohexylnaphthalene

Conditions
ConditionsYield
Stage #1: cyclohexylmagnesium bromide With zinc(II) chloride In tetrahydrofuran at 20℃; for 1h;
Stage #2: 1-Bromonaphthalene; dichloro bis(acetonitrile) palladium(II) In toluene at 60℃; for 3h; Negishi coupling; Further stages.;
85%
nickel
1-bromocyclohexane
108-85-0

1-bromocyclohexane

1-Bromonaphthalene
90-11-9

1-Bromonaphthalene

A

1-cyclohexylnaphthalene
3042-69-1

1-cyclohexylnaphthalene

B

1,1'-bisnaphthalene
604-53-5

1,1'-bisnaphthalene

Conditions
ConditionsYield
With N,N,N′,N′-tetramethylcyclohexane-1,2-diamine; magnesium; cobalt(II) chloride In tetrahydrofuran at 0℃; Inert atmosphere;A 85%
B n/a
1-bromocyclohexane
108-85-0

1-bromocyclohexane

1-naphthylmagnesiumbromide
703-55-9

1-naphthylmagnesiumbromide

A

1-cyclohexylnaphthalene
3042-69-1

1-cyclohexylnaphthalene

B

1,1'-bisnaphthalene
604-53-5

1,1'-bisnaphthalene

Conditions
ConditionsYield
With FeCl2(N(C2H5)2CH2CH2NC(CH3)CHC(CH3)O) In diethyl ether at 20℃; for 0.0833333h; Inert atmosphere;A 85%
B n/a
1-Bromonaphthalene
90-11-9

1-Bromonaphthalene

cyclohexylmagnesiumchloride
931-51-1

cyclohexylmagnesiumchloride

1-cyclohexylnaphthalene
3042-69-1

1-cyclohexylnaphthalene

Conditions
ConditionsYield
With [polymer-incarcerated nickel nanocatalyst] PICB-NHC-Ni (0.25 mol % as Ni) In tetrahydrofuran at 20℃; for 12h;84%
cyclohexylmagnesium bromide
931-50-0

cyclohexylmagnesium bromide

1-Chloronaphthalene
90-13-1

1-Chloronaphthalene

1-cyclohexylnaphthalene
3042-69-1

1-cyclohexylnaphthalene

Conditions
ConditionsYield
Stage #1: cyclohexylmagnesium bromide With 1,3-bis[(2,6-diisopropyl)phenyl]imidazolinium chloride In tetrahydrofuran at 20℃; for 0.166667h; Kumada Cross-Coupling; Flow reactor; Inert atmosphere;
Stage #2: 1-Chloronaphthalene With iron(III)-acetylacetonate In tetrahydrofuran at 25℃; for 0.0833333h; Kumada Cross-Coupling; Inert atmosphere; Flow reactor; Irradiation;
83%
1-naphthyl N,N-diethylcarbamate
85630-39-3

1-naphthyl N,N-diethylcarbamate

cyclohexylmagnesiumchloride
931-51-1

cyclohexylmagnesiumchloride

1-cyclohexylnaphthalene
3042-69-1

1-cyclohexylnaphthalene

Conditions
ConditionsYield
With 1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazolium chloride; iron(II) chloride In tetrahydrofuran; dichloromethane at 65℃; for 3h; Inert atmosphere; Sealed tube;82%
1-naphthyl tosylate
68211-49-4

1-naphthyl tosylate

cyclohexylmagnesium bromide
931-50-0

cyclohexylmagnesium bromide

1-cyclohexylnaphthalene
3042-69-1

1-cyclohexylnaphthalene

Conditions
ConditionsYield
With 1,2-bis(diphenylphosphino)ethane nickel(II) chloride In tetrahydrofuran at 23℃; Kumada Cross-Coupling; Inert atmosphere; Schlenk technique;82%
naphthalen-1-yl N,N-dimethylsulfamate
1144-13-4

naphthalen-1-yl N,N-dimethylsulfamate

cyclohexylmagnesiumchloride
931-51-1

cyclohexylmagnesiumchloride

1-cyclohexylnaphthalene
3042-69-1

1-cyclohexylnaphthalene

Conditions
ConditionsYield
With 1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazolium chloride; iron(II) chloride In tetrahydrofuran; dichloromethane at 65℃; for 3h; Inert atmosphere; Sealed tube;80%
1-naphthyl tosylate
68211-49-4

1-naphthyl tosylate

cyclohexylmagnesiumchloride
931-51-1

cyclohexylmagnesiumchloride

1-cyclohexylnaphthalene
3042-69-1

1-cyclohexylnaphthalene

Conditions
ConditionsYield
With iron(III)-acetylacetonate In tetrahydrofuran; 1-methyl-pyrrolidin-2-one at 0℃; for 1h;77%
With cobalt (III) fluoride; N,N′-bis(2,6-diisopropylphenyl)imidazol-2-ylidene hydrochloride In tetrahydrofuran at 80℃; for 5h;25%
dinaphthalen-1-ylzinc
7029-32-5

dinaphthalen-1-ylzinc

Cyclohexanecarboxylic acid
98-89-5

Cyclohexanecarboxylic acid

1-cyclohexylnaphthalene
3042-69-1

1-cyclohexylnaphthalene

Conditions
ConditionsYield
Stage #1: Cyclohexanecarboxylic acid With triethylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In tetrahydrofuran at 20℃; for 2h; Sealed tube; Inert atmosphere;
Stage #2: With iron(III)-acetylacetonate; o-phenylenebis(diphenylphosphine) In tetrahydrofuran at 20℃; for 0.0833333h; Negishi Coupling; Sealed tube; Inert atmosphere;
Stage #3: dinaphthalen-1-ylzinc In tetrahydrofuran at 20℃; for 1h; Catalytic behavior; Reagent/catalyst; Temperature; Negishi Coupling; Sealed tube; Inert atmosphere;
76%
1-Iodonaphthalene
90-14-2

1-Iodonaphthalene

1-cyclohexyl-2,4,6-triphenylpyridin-1-ium tetrafluoroborate salt

1-cyclohexyl-2,4,6-triphenylpyridin-1-ium tetrafluoroborate salt

1-cyclohexylnaphthalene
3042-69-1

1-cyclohexylnaphthalene

Conditions
ConditionsYield
With manganese; (1,2-dimethoxyethane)dichloronickel(II) In N,N-dimethyl acetamide71%
diethyl naphthalen-1-yl phosphate
33650-14-5

diethyl naphthalen-1-yl phosphate

cyclohexylmagnesiumchloride
931-51-1

cyclohexylmagnesiumchloride

1-cyclohexylnaphthalene
3042-69-1

1-cyclohexylnaphthalene

Conditions
ConditionsYield
With [1,3-bis(2,6-diisopropylphenyl)imidazolium][Fe(PCy3)Br3] In tetrahydrofuran at 0 - 85℃; for 8h; Reagent/catalyst; Inert atmosphere;70%
With [1,3-bis(2,6-diisopropylphenyl)imidazolium][Fe(PCy3)Br3] In tetrahydrofuran at 0 - 85℃; for 8h; Schlenk technique; Inert atmosphere;53%
1-bromocyclohexane
108-85-0

1-bromocyclohexane

1-Bromonaphthalene
90-11-9

1-Bromonaphthalene

1-cyclohexylnaphthalene
3042-69-1

1-cyclohexylnaphthalene

Conditions
ConditionsYield
With iron(III) chloride; N,N,N,N,-tetramethylethylenediamine In tetrahydrofuran at 0℃; for 3h; Inert atmosphere;67%
1-naphthyl tosylate
68211-49-4

1-naphthyl tosylate

C18H19O4Si(1-)*H(1+)

C18H19O4Si(1-)*H(1+)

1-cyclohexylnaphthalene
3042-69-1

1-cyclohexylnaphthalene

Conditions
ConditionsYield
With tris(2,2-bipyridine)ruthenium(II) hexafluorophosphate; (1,2-dimethoxyethane)dichloronickel(II); 4,4'-di-tert-butyl-2,2'-bipyridine In N,N-dimethyl-formamide at 27℃; for 24h; Inert atmosphere; Irradiation; Schlenk technique;63%
1-bromocyclohexane
108-85-0

1-bromocyclohexane

1-naphthyl diethylphosphate

1-naphthyl diethylphosphate

1-cyclohexylnaphthalene
3042-69-1

1-cyclohexylnaphthalene

Conditions
ConditionsYield
With 1,3-dibutyl-1H-benzo[d]imidazol-3-ium bromide; C33H27N2(1+)*Br4Fe(1-); magnesium In tetrahydrofuran at 0 - 35℃; for 14h; Inert atmosphere; Schlenk technique;62%
dinaphthalen-1-ylzinc
7029-32-5

dinaphthalen-1-ylzinc

1,3-dioxoisoindolin-2-yl cyclohexanecarboxylate

1,3-dioxoisoindolin-2-yl cyclohexanecarboxylate

1-cyclohexylnaphthalene
3042-69-1

1-cyclohexylnaphthalene

Conditions
ConditionsYield
With iron(III)-acetylacetonate; o-phenylenebis(diphenylphosphine) In tetrahydrofuran at 0 - 25℃; for 1h; Negishi Coupling; Inert atmosphere;60%
Stage #1: 1,3-dioxoisoindolin-2-yl cyclohexanecarboxylate With iron(III)-acetylacetonate; o-phenylenebis(diphenylphosphine) In tetrahydrofuran for 0.0833333h; Negishi Coupling; Sealed tube; Inert atmosphere;
Stage #2: dinaphthalen-1-ylzinc In tetrahydrofuran at 20℃; for 1h; Negishi Coupling; Sealed tube; Inert atmosphere;
64 %Spectr.
1-naphthylmagnesiumbromide
703-55-9

1-naphthylmagnesiumbromide

1,3-dioxoisoindolin-2-yl cyclohexanecarboxylate

1,3-dioxoisoindolin-2-yl cyclohexanecarboxylate

1-cyclohexylnaphthalene
3042-69-1

1-cyclohexylnaphthalene

Conditions
ConditionsYield
Stage #1: 1,3-dioxoisoindolin-2-yl cyclohexanecarboxylate With 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; iron(III)-acetylacetonate In tetrahydrofuran at 25℃; for 0.0833333h; Kumada Cross-Coupling; Inert atmosphere;
Stage #2: 1-naphthylmagnesiumbromide With lithium chloride In tetrahydrofuran at 0 - 25℃; for 1h; Kumada Cross-Coupling;
57%
1-bromocyclohexane
108-85-0

1-bromocyclohexane

diethyl naphthalen-1-yl phosphate
33650-14-5

diethyl naphthalen-1-yl phosphate

1-cyclohexylnaphthalene
3042-69-1

1-cyclohexylnaphthalene

Conditions
ConditionsYield
With [1,3-bis(2,6-diisopropylphenyl)imidazolium][Fe(PCy3)Br3]; magnesium; lithium chloride In tetrahydrofuran at 0 - 25℃; Schlenk technique; Inert atmosphere;53%
naphthalene
91-20-3

naphthalene

Cyclohexyl benzenesulphonate
782-84-3

Cyclohexyl benzenesulphonate

A

1-cyclohexylnaphthalene
3042-69-1

1-cyclohexylnaphthalene

B

2-cyclohexylnaphthalene
42044-07-5

2-cyclohexylnaphthalene

1-cyclohex-1-enyl-naphthalene
40358-51-8

1-cyclohex-1-enyl-naphthalene

1-cyclohexylnaphthalene
3042-69-1

1-cyclohexylnaphthalene

Conditions
ConditionsYield
With acetic acid; platinum Hydrogenation;
With ethanol; nickel
4-cyclohexyl-1,2-dihydronaphthalene
306993-45-3

4-cyclohexyl-1,2-dihydronaphthalene

1-cyclohexylnaphthalene
3042-69-1

1-cyclohexylnaphthalene

Conditions
ConditionsYield
With platinum at 300 - 320℃;
With selenium at 300 - 320℃;
naphthalene
91-20-3

naphthalene

cyclohexanol
108-93-0

cyclohexanol

1-cyclohexylnaphthalene
3042-69-1

1-cyclohexylnaphthalene

Conditions
ConditionsYield
With boron trifluoride
1-bromocyclohexane
108-85-0

1-bromocyclohexane

naphthalene
91-20-3

naphthalene

A

1-cyclohexylnaphthalene
3042-69-1

1-cyclohexylnaphthalene

B

2-cyclohexylnaphthalene
42044-07-5

2-cyclohexylnaphthalene

C

2,6-Dicyclohexylnaphthalene
42044-10-0

2,6-Dicyclohexylnaphthalene

D

2,7-Dicyclohexylnaphthalene
136288-21-6

2,7-Dicyclohexylnaphthalene

Conditions
ConditionsYield
zeolite HY2.5 at 82℃; for 6h; Product distribution; Mechanism; other catalysts, other temperature, other alkylating agent;
zeolite HY2.5 at 200℃; for 0.166667h; Yield given. Yields of byproduct given;
With NH4-USY760 In decane at 175℃; for 2h; Product distribution; Further Variations:; Reagents; Alkylation;
tetrahydro(8,9,10,11)benzo(b)naphto<1,2-d>thiophene
18428-06-3

tetrahydro(8,9,10,11)benzo(b)naphto<1,2-d>thiophene

A

1-cyclohex-1-enyl-naphthalene
40358-51-8

1-cyclohex-1-enyl-naphthalene

B

1-cyclohexylnaphthalene
3042-69-1

1-cyclohexylnaphthalene

C

cyclohexyl-5 tetraline
90501-15-8

cyclohexyl-5 tetraline

D

decahydro(1,2,3,4,7a,8,9,10,11,11a)benzo(b)naphto<1,2-d>thiophene
90501-18-1

decahydro(1,2,3,4,7a,8,9,10,11,11a)benzo(b)naphto<1,2-d>thiophene

E

hexahydro(7a,8,9,10,11,11a)benzo(b)naphto<1,2-d>thiophene
90501-17-0

hexahydro(7a,8,9,10,11,11a)benzo(b)naphto<1,2-d>thiophene

Conditions
ConditionsYield
With hydrogen; aluminum oxide; nickel molybdenum In dodecane at 250℃; under 30400 Torr; Product distribution;
1-(naphthalen-1-yl)cyclohexanol
74685-85-1

1-(naphthalen-1-yl)cyclohexanol

1-cyclohexylnaphthalene
3042-69-1

1-cyclohexylnaphthalene

Conditions
ConditionsYield
With hydrogen; palladium on activated charcoal
naphthalene
91-20-3

naphthalene

cyclohexene
110-83-8

cyclohexene

A

1-cyclohexylnaphthalene
3042-69-1

1-cyclohexylnaphthalene

B

2-cyclohexylnaphthalene
42044-07-5

2-cyclohexylnaphthalene

C

2,6-Dicyclohexylnaphthalene
42044-10-0

2,6-Dicyclohexylnaphthalene

D

2,7-Dicyclohexylnaphthalene
136288-21-6

2,7-Dicyclohexylnaphthalene

Conditions
ConditionsYield
zeolite HY2.5 at 200℃; for 0.416667h; Yield given. Yields of byproduct given;
α-<Δ3-cyclohexenyl>-naphthalin
133131-79-0

α-<Δ3-cyclohexenyl>-naphthalin

1-cyclohexylnaphthalene
3042-69-1

1-cyclohexylnaphthalene

Conditions
ConditionsYield
With selenium at 300 - 320℃;
naphthalene
91-20-3

naphthalene

cyclohexyl mesylate
16156-56-2

cyclohexyl mesylate

A

1-cyclohexylnaphthalene
3042-69-1

1-cyclohexylnaphthalene

B

2-cyclohexylnaphthalene
42044-07-5

2-cyclohexylnaphthalene

Conditions
ConditionsYield
With scandium tris(trifluoromethanesulfonate) In tetrachloromethane at 80℃; for 4h; Yield given. Yields of byproduct given. Title compound not separated from byproducts;
scandium tris(trifluoromethanesulfonate) In 1,2-dichloro-ethane at 80℃; for 4h; Product distribution; also in the presence of TfOH;
scandium tris(trifluoromethanesulfonate) In 1,2-dichloro-ethane at 80℃; for 4h; Yield given; Yields of byproduct given. Title compound not separated from byproducts;
(+-)-1-cyclohexyl-1,2,3,4-tetrahydro-naphthalene

(+-)-1-cyclohexyl-1,2,3,4-tetrahydro-naphthalene

1-cyclohexylnaphthalene
3042-69-1

1-cyclohexylnaphthalene

Conditions
ConditionsYield
With palladium on activated charcoal at 250℃;
1-cyclohexylnaphthalene
3042-69-1

1-cyclohexylnaphthalene

1-bromo-4-cyclohexyl-naphthalene
51670-90-7

1-bromo-4-cyclohexyl-naphthalene

Conditions
ConditionsYield
With bromine In carbon disulfide

Naphthalene,1-cyclohexyl- Specification

The Naphthalene,1-cyclohexyl- with CAS registry number of 3042-69-1 is also known as a-Cyclohexylnaphthalene. The IUPAC name is 1-Cyclohexylnaphthalene. Its EINECS registry number is 221-247-2. In addition, the formula is C16H18 and the molecular weight is 210.31.

Physical properties about Naphthalene,1-cyclohexyl- are: (1)ACD/LogP: 5.97; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.97; (4)ACD/LogD (pH 7.4): 5.97; (5)ACD/BCF (pH 5.5): 20238.13; (6)ACD/BCF (pH 7.4): 20238.13; (7)ACD/KOC (pH 5.5): 42067.13; (8)ACD/KOC (pH 7.4): 42067.13; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.599; (11)Molar Refractivity: 69.95 cm3; (12)Molar Volume: 204.7 cm3; (13)Surface Tension: 40.7 dyne/cm; (14)Density: 1.027 g/cm3; (15)Flash Point: 174.2 °C; (16)Enthalpy of Vaporization: 56.76 kJ/mol; (17)Boiling Point: 346.7 °C at 760 mmHg; (18)Vapour Pressure: 0.000113 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1CCC(CC1)C2=CC=CC3=CC=CC=C32
2. InChI: InChI=1S/C16H18/c1-2-7-13(8-3-1)16-12-6-10-14-9-4-5-11-15(14)16/h4-6,9-13H,1-3,7-8H2
3. InChIKey: RAYZALBEMJMGEA-UHFFFAOYSA-N

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