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| CAS No.: | 941-98-0 |
|---|---|
| Name: | 1'-Acetonaphthone |
| Molecular Structure: | |
|
|
|
| Formula: | C12H10O |
| Molecular Weight: | 170.211 |
| Synonyms: | 1'-Acetonaphthone(6CI,8CI);1-(1-Naphthalenyl)ethanone;1-(1-Naphthyl)ethanone;1-(Naphthalen-4-yl)ethanone;1-Acetonaphthalene;1-Acetonaphthone;1-Acetylnaphthalene;1-Naphthyl methyl ketone;Methyl 1-naphthyl ketone;Methyla-naphthyl ketone;NSC 7659;a-Acetonaphthone;a-Acetylnaphthalene;a-Naphthyl methyl ketone; |
| EINECS: | 213-384-1 |
| Density: | 1.098 g/cm3 |
| Melting Point: | 10-12 °C |
| Boiling Point: | 296.999 °C at 760 mmHg |
| Flash Point: | 129.458 °C |
| Solubility: | immiscible with water |
| Appearance: | clear pale yellow to yellow liquid |
| Hazard Symbols: |
 Xi,  Xn
|
| Risk Codes: | 36/37/38-22 |
| Safety: | 26-36 |
| PSA: | 17.07000 |
| LogP: | 3.04240 |
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- 57605-95-5
1-(1-naphthyl)ethanol
- 941-98-0
1'-naphthacetophenone
| Conditions | Yield |
|---|---|
| With ruthenium trichloride; iodobenzene; potassium peroxomonosulfate In water; acetonitrile at 20℃; for 7h; | 100% |
| With ruthenium trichloride; iodobenzene; potassium peroxymonosulfate In water; acetonitrile at 20℃; for 7h; Inert atmosphere; | 100% |
| With silica gel supported bis(trimethylsilyl) chromate In dichloromethane at 25℃; for 0.333333h; | 99% |
| Conditions | Yield |
|---|---|
| Stage #1: methyllithium; 1-Cyanonaphthalene In tetrahydrofuran at -90℃; for 0.5h; Stage #2: With water | 100% |
- 91-20-3
naphthalene
- 75-36-5
acetyl chloride
A
- 941-98-0
1'-naphthacetophenone
B
- 93-08-3
methyl 2-naphthyl ketone
| Conditions | Yield |
|---|---|
| aluminium trichloride In 1,2-dichloro-ethane at 0℃; Rate constant; Kinetics; Mechanism; other temperature; other concentrations; | A 99% B 1% |
| aluminium trichloride In 1,2-dichloro-ethane at 0℃; Thermodynamic data; ΔH<*>(activation); Σ<*>(activation); | A 99% B 1% |
| With aluminium trichloride; 1-ethyl-3-methyl-1H-imidazol-3-ium chloride at 0℃; for 1h; | A 89% B 2% |
- 102421-44-3
4-methyl-N'-(1-(naphthalen-1-yl)ethylidene)benzenesulfonohydrazide
- 941-98-0
1'-naphthacetophenone
| Conditions | Yield |
|---|---|
| With silica-supported selenamide; dihydrogen peroxide In tert-butyl alcohol at 55℃; for 20h; | 99% |
| Conditions | Yield |
|---|---|
| With trifluorormethanesulfonic acid; water; palladium diacetate; 2-(3,5-dimethyl-1H-pyrazol-1-yl)pyridine at 60℃; for 5h; | 98% |
| Conditions | Yield |
|---|---|
| With triethylamine; Pd(Ac2O)2-DPPP In N,N-dimethyl-formamide at 80℃; for 0.5h; | 97% |
| With triethylamine; Pd(Ac2O)2-DPPP In N,N-dimethyl-formamide at 80℃; for 0.5h; reaction with other aryl triflates; | 97% |
| With hydrogenchloride; 1,3-bis-(diphenylphosphino)propane; triethylamine; palladium diacetate 1) DMF, 80 deg C, 1 h; Yield given. Multistep reaction; | |
| With hydrogenchloride; triethylamine; palladium diacetate; 2.9-dimethyl-1,10-phenanthroline 1.) DMF, 40 deg C, 2.5 h, 2.) 0.5 h; Yield given. Multistep reaction; |
- 15727-65-8
1-ethynylnaphthalene
- 941-98-0
1'-naphthacetophenone
| Conditions | Yield |
|---|---|
| With cobalt(III)((CH2NCHC6H4(O))2)(OAc); sulfuric acid In methanol; water at 80℃; for 20h; Schlenk technique; | 97% |
| With sulfuric acid; C18H15CoN2O10S2(2-)*2Na(1+); water In methanol at 80℃; for 20h; Schlenk technique; | 96% |
| With methanol; [Co((dimethylglyoximate)BF2)2•2H2O] at 65℃; for 2.5h; Sealed tube; Neutral conditions; regioselective reaction; | 93% |
| Conditions | Yield |
|---|---|
| Stage #1: -butyl vinyl ether; 1-Bromonaphthalene With palladium diacetate; 1,3-bis-(diphenylphosphino)propane; triethylamine In various solvent(s) at 100℃; for 24h; Heck reaction; Stage #2: With hydrogenchloride Further stages.; | 95% |
| Stage #1: -butyl vinyl ether; 1-Bromonaphthalene With meso-2,4-bis(diphenylphosphino)pentane; triethylamine; palladium diacetate In dimethyl sulfoxide at 115℃; for 36h; Heck arylation; Stage #2: With hydrogenchloride In dimethyl sulfoxide at 20℃; | 94% |
| Stage #1: -butyl vinyl ether; 1-Bromonaphthalene With triethylamine; tris-(o-tolyl)phosphine; 3-butyl-1-methyl-1H-imidazol-3-ium hexafluorophosphate; 1,3-bis-(diphenylphosphino)propane; palladium dichloride at 130℃; for 2h; Heck reaction; microwave irradiation; Stage #2: With hydrogenchloride In water Further stages.; | 71% |
| With hydrogenchloride; triethylamine; palladium diacetate; 2.9-dimethyl-1,10-phenanthroline 1.) DMF, 80 deg C, 24 h, 2.) 0.5 h; Yield given. Multistep reaction; |
| Conditions | Yield |
|---|---|
| Stage #1: naphthalene With copper(I) oxide In acetonitrile at 25℃; for 0.666667h; Stage #2: formyl acetic anhydride With oxalic acid In acetonitrile for 2h; Temperature; | 95% |
- 941-98-0
1'-naphthacetophenone
| Conditions | Yield |
|---|---|
| With potassium fluoride; dihydrogen peroxide; potassium hydrogencarbonate In tetrahydrofuran; methanol; water at 60℃; for 10h; Tamao-Kumada Oxidation; Schlenk technique; Glovebox; | 94% |
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Chemistry
Product Name: 1'-Acetonaphthone (CAS NO.941-98-0)
Molecular Formula:C12H10O
Molar mass:170.2072 g/mol
Form: powder
Density: 1.097 g/cm3
Flash Point: 129.5 °C
Boiling Point: 297 °C at 760 mmHg
Index of Refraction: 1.615
Vapour Pressure: 0.00139 mmHg at 25°C
Melting point: 10-12°C
Water solubility: immiscible
Enthalpy of Vaporization: 53.68 kJ/mol
Index of Refraction: 1.615
Molar Refractivity: 54.12 cm3
Molar Volume: 155 cm3
XLogP3-AA: 2.9
H-Bond Donor: 0
H-Bond Acceptor: 1
Structure Descriptors of 1'-Acetonaphthone (CAS NO.941-98-0):
IUPAC Name: 1-naphthalen-1-ylethanone
Canonical SMILES: CC(=O)C1=CC=CC2=CC=CC=C21
InChI: InChI=1S/C12H10O/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h2-8H,1H3
InChIKey: QQLIGMASAVJVON-UHFFFAOYSA-N
Product Categories: Aromatic Ketones (substituted)
Uses
1'-Acetonaphthone (CAS NO.941-98-0) can be used for intermediates of dye and pharmaceutical.
Production
1'-Acetonaphthone (CAS NO.941-98-0) has been derived by acetylation of naphthalene with acetic anhydride in the presence of aluminum chloride.
Toxicity Data With Reference
| 1. | skn-rbt 500 mg/24H MLD | FCTOD7 Food and Chemical Toxicology. 20 (1982),755. | ||
| 2. | orl-rat LD50:1560 mg/kg | FCTOD7 Food and Chemical Toxicology. 20 (1982),755. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Moderately toxic by ingestion. A skin irritant. A combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes.
Safety Information of 1'-Acetonaphthone (CAS NO.941-98-0):
Hazard Codes:Xi
,Xn
Risk Statements:
22: Harmful if swallowed
36: Irritating to the eyes
37: Irritating to the respiratory system
38: Irritating to the skin
Safety Statements:
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
RTECS: BD1200000
F: 3
Hazard Note: Irritant
HS Code: 29143900
Standards and Recommendations
DOT Classification: 3; Label: Flammable Liquid
Specification
1'-Acetonaphthone , its CAS NO. is 941-98-0, the synonyms are 1-Acetylnaphthalene ; 1-Acetonaphthone ; alpha-Acetonaphthone ; alpha-Acetylnaphthalene ; 1-Acetonaphthalene ; 1-Naphthyl methyl ketone ; .alpha.-Acetonaphthone ; alpha-Naphthyl methyl ketone ; Methyl 1-naphthyl ketone ; 1-(1-naphthalenyl)-Ethanone ; 1-(1-naphthalenyl)-ethanon .