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1-Acenaphthenol
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Name

1-Acenaphthenol

 EINECS 228-618-8
CAS No. 6306-07-6 Density 1.29g/cm3
PSA 20.23000 LogP 2.42930
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 N/A Appearance white to cream solid
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 6306-07-6 (1-ACENAPHTHENOL) Hazard Symbols N/A
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;

Article Data 48

1-Acenaphthenol Synthetic route

2235-15-6

1(2H)-acenaphthylenone

6306-07-6

1-acenaphthenol

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
With ammonium cerium(IV) nitrate; oxygen In water at 20℃; for 0.0833333h;A 14%
B 12%
C 59%
83-32-9

acenaphthene

A

6306-07-6

1-acenaphthenol

B

2235-15-6

1(2H)-acenaphthylenone

Conditions
ConditionsYield
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
ConditionsYield
With samarium diiodide; water In tetrahydrofuran at 20℃; for 0.00277778h;A 41%
B 26%
C 23%
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
ConditionsYield
bis(η6-biphenyl)titanium(0) In toluene at 110℃; for 2h; Further byproducts given;A 21%
B 10%
C 11%
D 31%
14966-36-0

1-acetoxyacenaphthene

6306-07-6

1-acenaphthenol

Conditions
ConditionsYield
With sodium hydroxide
83-32-9

acenaphthene

6306-07-6

1-acenaphthenol

Conditions
ConditionsYield
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
ConditionsYield
With diethyl ether
24171-73-1

1-bromoacenaphthene

6306-07-6

1-acenaphthenol

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

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;

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