1-Acenaphthenol supplier | CasNO.6306-07-6

Name
1-ACENAPHTHENOL
EINECS 228-618-8
CAS No. 6306-07-6
Article Data48
CAS DataBase
Density 1.29g/cm3
Solubility almost insoluble
Melting Point 145-148 °C(lit.)
Formula C12H10 O
Boiling Point 369.2oC at 760 mmHg
Molecular Weight 170.211
Flash Point 129oC
Transport Information
Appearance white to cream solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Acenaphthenol(6CI,7CI,8CI);1-Acenaphthylenol, 1,2-dihydro-, (?à)-;(?à)-1-Acenaphthenol;(?à)-Acenaphthenol;1,2-Dihydro-1-acenaphthylenol;1-Acenaphthol;NSC 22834;
PSA 20.23000
LogP 2.42930

Synthetic route

: 2235-15-6
1(2H)-acenaphthylenone

: 6306-07-6
1-acenaphthenol

Conditions

Conditions	Yield
With hydrogen In methanol at 100℃; under 30003 Torr; Temperature; Autoclave;	94.2%
With sodium tetrahydroborate In methanol at 20℃; for 2h;	87%
With hydrogen; nickel at 230℃;

: 208-96-8
acenaphthylene

: 6306-07-6
1-acenaphthenol

Conditions

Conditions	Yield
With sodium tetrahydroborate; titanium tetrachloride In 1,2-dimethoxyethane Ambient temperature;	88%
With oxygen; tetraethylammonium borohydride; 5,10,15,20-tetraphenyl-21H,23H-porphine cobalt(II) In 1,2-dimethoxyethane; isopropyl alcohol for 192h; Ambient temperature;	76%
With sodium tetrahydroborate; oxygen; (pyridine)Co(dimethylglyoxime)2Cl In 1,2-dimethoxyethane for 20h;	11%
With sodium tetrahydroborate; tin(IV) chloride

: 67-56-1
methanol

: 83-32-9
acenaphthene

A: 21857-35-2
1-methoxyacenaphthene

B: 6306-07-6
1-acenaphthenol

C: 2235-15-6
1(2H)-acenaphthylenone

Conditions

Conditions	Yield
With ammonium cerium(IV) nitrate; oxygen In water at 20℃; for 0.0833333h;	A 14% B 12% C 59%

...Expand

: 83-32-9
acenaphthene

A: 6306-07-6
1-acenaphthenol

B: 2235-15-6
1(2H)-acenaphthylenone

Conditions

Conditions	Yield
With N-hydroxyphthalimide; 1,4-diamino-2,3-dichloroanthraquinone; oxygen In acetonitrile at 80℃; under 1875.15 - 2250.18 Torr; for 10h;	A 25 % Chromat. B 54%
With N-hydroxyphthalimide; bromine; oxygen; acridine yellow In acetonitrile at 100℃; under 2250.18 Torr; for 24h;
With Cr2O4(2-)*Cu(2+); dihydrogen peroxide In acetonitrile at 50℃; for 10h;

: 82-86-0
acenaphthene quinone

A: 6306-07-6
1-acenaphthenol

B: 83-32-9
acenaphthene

C: 208-96-8
acenaphthylene

Conditions

Conditions	Yield
With samarium diiodide; water In tetrahydrofuran at 20℃; for 0.00277778h;	A 41% B 26% C 23%

...Expand

: 82-86-0
acenaphthene quinone

A: 191-48-0
decacyclene

B: 6306-07-6
1-acenaphthenol

C: 83-32-9
acenaphthene

D: 208-96-8
acenaphthylene

Conditions

Conditions	Yield
bis(η6-biphenyl)titanium(0) In toluene at 110℃; for 2h; Further byproducts given;	A 21% B 10% C 11% D 31%

...Expand

: 14966-36-0
1-acetoxyacenaphthene

: 6306-07-6
1-acenaphthenol

Conditions

Conditions	Yield
With sodium hydroxide

: 83-32-9
acenaphthene

: 6306-07-6
1-acenaphthenol

Conditions

Conditions	Yield
With lead dioxide; acetic acid
With lead(II,IV) oxide; acetic acid at 60 - 70℃; Verseifen des Acetats mit waessrig-methylalkoholischer Natronlauge;
Multi-step reaction with 2 steps 1: Pb3O4 / 60 - 70 °C 2: aqueous methanol. NaOH View Scheme
Multi-step reaction with 2 steps 1: glacial acetic acid; lead (IV)-acetate 2: aqueous methanol. NaOH View Scheme
Stage #1: acenaphthene With water In acetone for 2h; Darkness; Stage #2: In acetone for 8h; Irradiation;

: 926-62-5
isobutylmagnesium bromide

: 2235-15-6
1(2H)-acenaphthylenone

A: 6306-07-6
1-acenaphthenol

B: 1-isobutyl-acenaphthen-1-ol

Conditions

Conditions	Yield
With diethyl ether

...Expand

: 24171-73-1
1-bromoacenaphthene

: 6306-07-6
1-acenaphthenol

Conditions

Conditions	Yield
(i) MeCN, NaCN, (ii) aq. NaCl; Multistep reaction;

: 83-32-9
acenaphthene

A: 6306-07-6
1-acenaphthenol

B: 119951-85-8
1-hydroperoxy-1,2-dihydroacenaphthylene

C: 82-86-0
acenaphthene quinone

D: 2235-15-6
1(2H)-acenaphthylenone

Conditions

Conditions	Yield
tetraethylammonium chloride; oxygen In benzonitrile; chlorobenzene at 84.9℃; for 1.25h; Product distribution; var. oxidants;
With oxygen; tetrabutylammonium perchlorate In benzonitrile; chlorobenzene at 84.85℃; for 2h; Kinetics; Further Variations:; Catalysts; Oxidation;
With tetrabutylammonium perchlorate; oxygen In benzonitrile; chlorobenzene at 84.85℃; for 1.5h; Product distribution; Kinetics; Further Variations:; Reaction partners; var. time; Oxidation;
With N-hydroxyphthalimide; [bis(acetoxy)iodo]benzene; oxygen In chlorobenzene at 75℃; under 760.051 Torr; Kinetics; Activation energy; Reagent/catalyst; Solvent;

...Expand

: 83-32-9
acenaphthene

: 64-19-7
acetic acid

lead dioxide: lead dioxide

A: 6306-07-6
1-acenaphthenol

B acenaphthenol acetate: acenaphthenol acetate

...Expand

: 60-29-7
diethyl ether

: 926-62-5
isobutylmagnesium bromide

: 2235-15-6
1(2H)-acenaphthylenone

A: 6306-07-6
1-acenaphthenol

B 1-isobutyl-acenaphthenol-(1): 1-isobutyl-acenaphthenol-(1)

...Expand

: 91-17-8
decalin

: 2235-15-6
1(2H)-acenaphthylenone

nickel: nickel

A: 480-72-8
1,2,2a,3,4,5-hexahydro-acenaphthylene

B: 6306-07-6
1-acenaphthenol

C: 83-32-9
acenaphthene

D: 208-96-8
acenaphthylene

Conditions

Conditions	Yield
at 230℃; unter Druck.Hydrogenation;

...Expand

: 82-86-0
acenaphthene quinone

: 6306-07-6
1-acenaphthenol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: nickel; decalin / 120 - 180 °C / Hydrogenation.unter Druck 2: hydrogen; nickel / 230 °C View Scheme

: 86-87-3
naphth-1-yl acetic acid

: 6306-07-6
1-acenaphthenol

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: thionyl chloride / dichloromethane / 2.5 h / 0 - 20 °C 2: aluminum (III) chloride / dichloromethane / 2 h / 0 - 20 °C 3: sodium tetrahydroborate / methanol / 2 h / 20 °C View Scheme
Multi-step reaction with 3 steps 1: thionyl chloride / dichloromethane / 1 h / 0 °C / Heating / reflux 2: aluminum (III) chloride / 1,2-dichloro-ethane / 1 h / 0 - 20 °C 3: sodium tetrahydroborate / methanol / 1 h / 0 - 20 °C View Scheme

: 5121-00-6
naphthalen-1-yl-acetyl chloride

: 6306-07-6
1-acenaphthenol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: aluminum (III) chloride / dichloromethane / 2 h / 0 - 20 °C 2: sodium tetrahydroborate / methanol / 2 h / 20 °C View Scheme
Multi-step reaction with 2 steps 1: aluminum (III) chloride / 1,2-dichloro-ethane / 1 h / 0 - 20 °C 2: sodium tetrahydroborate / methanol / 1 h / 0 - 20 °C View Scheme

: 6306-07-6
1-acenaphthenol

: 24171-73-1
1-bromoacenaphthene

Conditions

Conditions	Yield
With phosphorus tribromide In diethyl ether; dichloromethane at 25℃; for 0.5h;	99%
With bromine; 1,2-bis-(diphenylphosphino)ethane In dichloromethane at -20 - 15℃; Inert atmosphere;	78%
With pyridine; phosphorus tribromide In dichloromethane at -10℃; for 0.5h;	68%

: 6306-07-6
1-acenaphthenol

: 2235-15-6
1(2H)-acenaphthylenone

Conditions

Conditions	Yield
With potassium dichromate; sulfuric acid In diethyl ether; water at 0℃; for 0.666667h;	97%
With dinitrogen monoxide; dioxo(tetramesitylporphyrinato)ruthenium(VI) In 1,2-dichloro-ethane at 120℃; under 7600 Torr; for 7.5h;	95%
With dinitrogen monoxide; dioxo(tetramesitylporphyrinato)ruthenium(VI) In 1,2-dichloro-ethane at 120℃; under 7500.6 Torr; for 7.5h;	95%

: 6306-07-6
1-acenaphthenol

: 108-24-7
acetic anhydride

: 14966-36-0
1-acetoxyacenaphthene

Conditions

Conditions	Yield
With dmap In triethylamine 0 degC -> r.t., overnight;	95%
With dmap; triethylamine Acetylation;
With dmap; triethylamine In diethyl ether
With dmap; triethylamine In diethyl ether

: 6306-07-6
1-acenaphthenol

: 208-96-8
acenaphthylene

Conditions

Conditions	Yield
methyltrioxorhenium(VII) In benzene for 72h;	89%
zirconium(IV) chloride In acetonitrile at 20℃; for 0.666667h;	89%
With pyridine; thionyl chloride

: 6306-07-6
1-acenaphthenol

A: 65-85-0
benzoic acid

B: 2235-15-6
1(2H)-acenaphthylenone

Conditions

Conditions	Yield
With dibenzoyl peroxide In dichloromethane for 3h; Ambient temperature; Irradiation;	A n/a B 84%

: 6306-07-6
1-acenaphthenol

: 762-72-1
allyl-trimethyl-silane

: 1-(2-propenyl)-acenaphthalene

Conditions

Conditions	Yield
bismuth(III) chloride In dichloromethane at 80℃; for 3h;	82%
With indium(III) bromide In dichloromethane at 40℃; for 7h;	80%

: 524-38-9
N-hydroxyphthalimide

: 6306-07-6
1-acenaphthenol

: 2-(1,2-dihydro-1-acenaphthylenyloxy)-1H-isoindole-1,3(2H)-dione

Conditions

Conditions	Yield
With triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran at 20℃; for 25h; Mitsunobu reaction;	81%

: 6306-07-6
1-acenaphthenol

: dimethyl 2-((fluoromethyl)(phenyl)-l4-sulfaneylidene)malonate

: 1-(fluoromethoxy)-1,2-dihydroacenaphthylene

Conditions

Conditions	Yield
Stage #1: 1-acenaphthenol With sodium hydride In N,N-dimethyl-formamide; mineral oil at 20℃; for 0.5h; Schlenk technique; Inert atmosphere; Stage #2: dimethyl 2-((fluoromethyl)(phenyl)-l4-sulfaneylidene)malonate In N,N-dimethyl-formamide; mineral oil at 20℃; for 12h; Schlenk technique; Inert atmosphere;	79%

: 6306-07-6
1-acenaphthenol

: 3024-72-4
3,4-dichlorobenzoyl chloride

: 1161742-29-5
(+/-)-1,2-dihydroacenaphthylen-1-yl 3,4-dichlorobenzoate

Conditions

Conditions	Yield
With pyridine; N,N,N,N,-tetramethylethylenediamine at 20℃; for 18h;	76%

: 6306-07-6
1-acenaphthenol

A: acenaphthene-1-thiol

B: 208-96-8
acenaphthylene

Conditions

Conditions	Yield
With Lawessons reagent In toluene for 0.5h; Heating;	A 72% B 13%
With Lawessons reagent In toluene for 0.5h; Heating;	A 72% B 13%

: 6306-07-6
1-acenaphthenol

: 14661-69-9
p-toluenesulfonylhydrazone glyoxylic acid chloride

: 182313-50-4
1,2-dihydroacenaphthylen-1-yl diazoacetate

Conditions

Conditions	Yield
With triethylamine In dichloromethane for 1h;	71%

: 6306-07-6
1-acenaphthenol

: 141-78-6
ethyl acetate

: 14966-36-0
1-acetoxyacenaphthene

Conditions

Conditions	Yield
Stage #1: 1-acenaphthenol With potassium tert-butylate In dimethyl sulfoxide at 20℃; for 0.5h; Inert atmosphere; Stage #2: ethyl acetate In dimethyl sulfoxide at 20℃; for 0.5h; Inert atmosphere;	70%

: 31643-49-9
4-Nitrophthalonitrile

: 6306-07-6
1-acenaphthenol

: 1288981-15-6
4-(1,2-dihydroacenaphthylen-1-yloxy)phthalonitrile

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 50℃; for 72h; Inert atmosphere;	69%

: 6306-07-6
1-acenaphthenol

: 21900-25-4
4-bromo-3-methylbenzoyl chloride

: 1161742-31-9
(+/-)-1,2-dihydroacenaphthylen-1-yl 4-bromo-3-methylbenzoate

Conditions

Conditions	Yield
With pyridine; N,N,N,N,-tetramethylethylenediamine at 20℃; for 18h;	65%

: p-toluenesulfonic acid

: 6306-07-6
1-acenaphthenol

: 4-Methyl-benzenesulfinic acid acenaphthen-1-yl ester

Conditions

Conditions	Yield
With 1,1'-carbonyldiimidazole In dichloromethane for 2h;	61%

: 6306-07-6
1-acenaphthenol

: 38818-50-7
4-chloro-3-nitro-benzoyl chloride

: 1161742-30-8
(+/-)-1,2-dihydroacenaphthylen-1-yl 4-chloro-3-nitrobenzoate

Conditions

Conditions	Yield
With pyridine; N,N,N,N,-tetramethylethylenediamine at 20℃; for 18h;	53%

: 108-05-4
vinyl acetate

: 6306-07-6
1-acenaphthenol

: 14966-36-0
(R)-(+)-1,2-dihydroacenaphthylen-1-yl acetate

Conditions

Conditions	Yield
With Pseudomonas fluorescens lipase [E.(1)C313] In diethyl ether at 20℃; Enzymatic reaction;	26%

: 64-69-7
Iodoacetic acid

: 6306-07-6
1-acenaphthenol

: 1,2-dihydroacenaphthylen-1-yl iodoacetate

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane for 1.5h; Ambient temperature;	23%

: 6306-07-6
1-acenaphthenol

: 471-25-0
Propiolic acid

: 182313-38-8
Propynoic acid acenaphthen-1-yl ester

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In ethyl acetate at -10℃; for 20h;	21%

: 108-22-5
Isopropenyl acetate

: 6306-07-6
1-acenaphthenol

A: 14966-36-0
(R)-(+)-1,2-dihydroacenaphthylen-1-yl acetate

B: 121961-98-6
(S)-(+)-1,2-dihydroacenaphthylen-1-ol

C: (S)-(-)-1,2-dihydroacenaphthylen-1-yl acetate

Conditions

Conditions	Yield
With Pseudomonas fluorescens lipase [E.(1)C313] In diethyl ether at 20℃; Enzymatic reaction;	A n/a B 21% C n/a

...Expand

: 617709-38-3
N-Isopropyl-N-[3-(piperidinomethyl)phenyl]-3-(2-dicyanomethylidene imidazolidin-1-yl)propionamide

: 6306-07-6
1-acenaphthenol

: N-isopropyl-N-[3-(piperidinomethyl)phenyl]-3-[3-(1-acenaphthenyl)-2-dicyanomethylidene imidazolidin-1-yl]propionamide

Conditions

Conditions	Yield
With 2,2'-azobis(isobutyronitrile); triphenylphosphine In tetrahydrofuran	20%

: 6306-07-6
1-acenaphthenol

: 1066-30-4
chromium(lll) acetate

: 2235-15-6
1(2H)-acenaphthylenone

: 6306-07-6
1-acenaphthenol

: 25132-44-9
1,5-dibromo-acenaphthene

Conditions

Conditions	Yield
With bromine; acetic acid

: 6306-07-6
1-acenaphthenol

: 40745-49-1
1-chloro-1,2-dihydroacenaphthylene

Conditions

Conditions	Yield
With hydrogenchloride; diethyl ether; calcium chloride
With thionyl chloride; N,N-dimethyl-formamide In dichloromethane at -20℃; for 2h;

1-Acenaphthenol Specification

The 1-Acenaphthenol,with the CAS registry number 6306-07-6,is also known as 1,2-Dihydroacenaphthylen-1-ol.It belongs to the product categories of Aromatic Phenols,Pharmaceutical Intermediates.Its EINECS number is 228-618-8.This chemical's molecular formula is C₁₂H₁₀O and molecular weight is 170.2.It is Stable,Combustible,irritant and incompatible with strong oxidizing agents.

Physical properties about 1-Acenaphthenol are:(1)ACD/LogP: 1.974; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.97; (4)ACD/LogD (pH 7.4): 1.97; (5)ACD/BCF (pH 5.5): 18.63; (6)ACD/BCF (pH 7.4): 18.63; (7)ACD/KOC (pH 5.5): 282.34; (8)ACD/KOC (pH 7.4): 282.34; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.741; (13)Molar Refractivity: 53.248 cm³; (14)Molar Volume: 131.889 cm³; (15)Surface Tension: 58.023998260498 dyne/cm; (16)Density: 1.291 g/cm³; (17)Flash Point: 129.006 °C; (18)Enthalpy of Vaporization: 64.985 kJ/mol; (19)Boiling Point: 369.213 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:OC3c1c2c(ccc1)cccc2C3;
(2)InChI:InChI=1S/C12H10O/c13-11-7-9-5-1-3-8-4-2-6-10(11)12(8)9/h1-6,11,13H,7H2;
(3)InChIKey:MXUCIEHYJYRTLT-UHFFFAOYSA-N;

Product Name

1-ACENAPHTHENOL

Synthetic route

1-Acenaphthenol Specification

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