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9,10-Di(1-naphthyl)anthracene
- Iupac Name:9,10-dinaphthalen-1-ylanthracene
- CAS No.: 26979-27-1
- Molecular Weight:430.55
- Modify Date.: 2022-11-24 18:26
- Introduction:
General procedure: A 10-mL test tube equipped with a magnetic stirring bar and a cap was charged with9, 10-diphenyl-9, 10-epoxyanthracene (3a) (102 mg, 295 mumol), wet dichloromethane (600muL), triethylsilane (71.9 muL, 450 mumol), and trifluoroacetic acid (26.7 muL, 360 mumol). Themixture was stirred for 30 min, after which time TLC (hexanes-ethyl acetate = 3:1) indicatedcomplete consumption of 9, 10-diphenyl-9, 10-epoxyanthracene (3a). The reaction wasquenched with H2O and the aqueous layer was extracted with dichloromethane three times.The combined organic extracts were successively washed with saturated aqueous NaHCO3and brine, dried over anhydrous Na2SO4, and filtered. The organic solvents were removedunder reduced pressure to give a crude anthracene, which was purified by flash silica gelcolumn chromatography (hexanes-dichloromethane = 4:1) to afford 4a (91.4 mg, 277 mumol, 94%) as a pale yellow solid. Rf = 0.73 (hexanes-ethyl acetate = 3:1). The spectrum data of 4awere in complete agreement with those reported in the literature.5
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1. Names and Identifiers
- 1.1 Name
- 9,10-Di(1-naphthyl)anthracene
- 1.2 Synonyms
9,10-Di(a-naphthylanthracene) Anthracene,9,10-di-1-naphthyl- (6CI,7CI,8CI) NSC 90485
- 1.3 CAS No.
- 26979-27-1
- 1.4 CID
- 259845
- 1.5 EINECS(EC#)
- 1312995-182-4
- 1.6 Molecular Formula
- C34H22 (isomer)
- 1.7 Inchi
- InChI=1S/C34H22/c1-3-15-25-23(11-1)13-9-21-27(25)33-29-17-5-7-19-31(29)34(32-20-8-6-18-30(32)33)28-22-10-14-24-12-2-4-16-26(24)28/h1-22H
- 1.8 InChkey
- GWNJZSGBZMLRBW-UHFFFAOYSA-N
- 1.9 Canonical Smiles
- C1=CC=C2C(=C1)C=CC=C2C3=C4C=CC=CC4=C(C5=CC=CC=C53)C6=CC=CC7=CC=CC=C76
- 1.10 Isomers Smiles
- C1=CC=C2C(=C1)C=CC=C2C3=C4C=CC=CC4=C(C5=CC=CC=C53)C6=CC=CC7=CC=CC=C76
2. Properties
- 2.1 Density
- 1.207
- 2.1 Melting point
- 360°C(lit.)
- 2.1 Boiling point
- 577.5°Cat760mmHg
- 2.1 Refractive index
- 1.76
- 2.1 Flash Point
- 304.1°C
- 2.1 Precise Quality
- 430.17200
- 2.1 PSA
- 0.00000
- 2.1 logP
- 9.63340
- 2.1 Λmax
- 417nm(EtOH)(lit.)
- 2.2 Appearance
- White to Light yellow powder to crystal
- 2.3 StorageTemp
- Sealed in dry,Room Temperature
3. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
no data available
2.2 GHS label elements, including precautionary statements
Pictogram(s) | no data available |
Signal word | no data available |
Hazard statement(s) | no data available |
Precautionary statement(s) | |
Prevention | no data available |
Response | no data available |
Storage | no data available |
Disposal | no data available |
2.3 Other hazards which do not result in classification
no data available
4. Synthesis Route
26979-27-1Total: 4 Synthesis Route
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Literatures:
Lee, Cho Hee; Kim, Mi Jong; Han, Sang-Pil; Lee, Yoo-Soon; Kang, Sung Kwon; Song, Jae Hee; Je, Jong Tae; Oh, Hyoung-Yun; Kim, Yeong-Joon
Tetrahedron, 2010 , vol. 66, # 18 p. 3360 - 3364
Yield: null
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Literatures:
Lee, Cho Hee; Kim, Mi Jong; Han, Sang-Pil; Lee, Yoo-Soon; Kang, Sung Kwon; Song, Jae Hee; Je, Jong Tae; Oh, Hyoung-Yun; Kim, Yeong-Joon
Tetrahedron, 2010 , vol. 66, # 18 p. 3360 - 3364
Yield: null
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6. Computational chemical data
- Molecular Weight: 430.55g/mol
- Molecular Formula: C34H22
- Compound Is Canonicalized: True
- XLogP3-AA: 10.2
- Exact Mass: 430.172150702
- Monoisotopic Mass: 430.172150702
- Complexity: 598
- Rotatable Bond Count: 2
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Topological Polar Surface Area: 0
- Heavy Atom Count: 34
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADceB8AAAAAAAAAAAAAAAAAAAAAAAAAAAwYMGDAAAAAADBVAAAGAAAAAAADACAGAAwAMAAAACAAiBCAAACAAAgAAAIiAAAAIgIICKAERCAIAAggAAIiAcAgMAOwAACAAAQAACAAAQAACAAAAAAAAAAAA==
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