1-Ethylnaphthalene

Base Information

• Chemical Name: 1-Ethylnaphthalene
• CAS No.: 1127-76-0
• Molecular Formula: C12H12
• Molecular Weight: 156.227
• Hs Code.: 2902909090
• European Community (EC) Number: 214-432-4
• NSC Number: 59390
• UNII: P1MIE8TZ19
• DSSTox Substance ID: DTXSID10870852
• Nikkaji Number: J53.718G
• Wikidata: Q63396539
• Metabolomics Workbench ID: 130587
• ChEMBL ID: CHEMBL317740
• Mol file: 1127-76-0.mol

Synonyms:1-ETHYLNAPHTHALENE;1127-76-0;Naphthalene, 1-ethyl-;ETHYLNAPHTHALENE;Naphthalene, ethyl-;.alpha.-Ethylnaphthalene;1-Ethyl-naphthalene;alpha-Ethylnaphthalene;1-Ethylnaphtha;1-ethyl naphthalene;Poly(1-vinylnaphthalene);EINECS 214-432-4;NSC 59390;P1MIE8TZ19;MFCD00004049;NSC-59390;29793-40-6;27138-19-8;MFCD00274663;NSC59390;1-ETHYLNAPHTHANENE;UNII-P1MIE8TZ19;1-Ethylnaphthalene, >=97%;BIDD:GT0281;CHEMBL317740;WLN: L66J B2;DTXSID10870852;BCP30943;AKOS015912536;CS-W008338;ES-2012;LS-94683;SY051576;AM20020213;E0146;FT-0633378;A24560;F16030;Q63396539

Chemical Property of 1-Ethylnaphthalene

Chemical Property:

• Vapor Pressure: 0.0214mmHg at 25°C
• Melting Point: −15-−14 °C(lit.)
• Refractive Index: n20/D 1.606(lit.)
• Boiling Point: 258-260 °C(lit.)
• Flash Point: 111.7°C
• PSA: 0.00000
• Density: 0.999g/cm³
• LogP: 3.40220
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: 10.7mg/L(25 oC)
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 156.093900383
• Heavy Atom Count: 12
• Complexity: 139

Purity/Quality:

99%min ^*data from raw suppliers

1-Ethylnaphthalene ^*data from reagent suppliers

Safty Information:

• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC1=CC=CC2=CC=CC=C21
• Uses: 1-Ethylnaphthalene has been employed as guest molecule to investigate:effect of binding Tb3+ to sodium taurocholate aggregates containing polyaromatic hydrocarbon guestsits binding to aggregates of sodium cholate, taurocholate, deoxycholate and deoxytaurocholate

Technology Process of 1-Ethylnaphthalene

There total 113 articles about 1-Ethylnaphthalene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 52.0%

naphthalene (91-20-3,71998-51-1,72931-45-4) + ethene (74-85-1) → 1-ethylnapthelene (1127-76-0) + 1-octylnaphthalene (2876-51-9) + 1-butylnaphthalene (1634-09-9) + 1-hexylnaphthalene (2876-53-1)

Guidance literature:

With sodium; lithium; toluene; In tetrahydrofuran; at 22 ℃; for 24h; under 760.051 Torr; Inert atmosphere;

DOI:10.1016/j.jorganchem.2008.12.052

Reference yield: 41.0%

naphthalene (91-20-3,71998-51-1,72931-45-4) + ethene (74-85-1) → 1-ethylnapthelene (1127-76-0) + 1-butylnaphthalene (1634-09-9) + 1-hexylnaphthalene (2876-53-1)

Guidance literature:

With sodium; lithium; In tetrahydrofuran; at 22 ℃; for 24h; under 760.051 Torr; Inert atmosphere;

DOI:10.1016/j.jorganchem.2008.12.052

Reference yield: 24.0%

naphthalene (91-20-3,71998-51-1,72931-45-4) + ethene (74-85-1) → 1-ethylnapthelene (1127-76-0) + 1-octylnaphthalene (2876-51-9) + 1-butylnaphthalene (1634-09-9) + 1-n-decylnaphthalene (26438-27-7) + 1-hexylnaphthalene (2876-53-1)

Guidance literature:

With sodium; lithium; In tetrahydrofuran; at 22 ℃; for 24h; under 760.051 Torr; Inert atmosphere;

DOI:10.1016/j.jorganchem.2008.12.052

upstream raw materials:

1'-naphthacetophenone

ethyl bromide

1-Bromonaphthalene

1-vinylnaphthalene

Downstream raw materials:

4-ethyl-1-naphthalenecarboxylic acid

1-vinylnaphthalene

2-ethylnaphthalene

5-ethyltetralin

Refernces

• 1、 Fittig,Remsen. "-". . p. 114. Retrieved 1870.
• 2、 Goldberg,Mueller. "-". . p. 831,836. Retrieved 1940.
• 3、 Hayashi, Tamio,Katsuro, Yoshio,Okamoto, Yasuo,Kumada, Makoto. "NICKEL-CATALYZED CROSS-COUPLING OF ARYL PHOSPHATES WITH GRIGNARD AND ORGANOALUMINIUM REAGENTS. SYNTHESIS OF ALKYL-, ALKENYL-, AND ARYLBENZENES FROM PHENOLS". . p. 4449 - 4452. Retrieved 1981.
• 4、 Wei, Xian-Yong,Ogata, Eisuke,Niki, Etsuo. "FeS2-Catalyzed Hydrocracking of α,ω-Diarylalkanes". . p. 1114 - 1119. Retrieved 1992.
• 5、 Li, Zhuang,Lu, Bing,Sun, Hongmei,Shen, Qi,Zhang, Yong. "Ionic iron(III) complexes bearing a dialkylbenzimidazolium cation: Efficient catalysts for magnesium-mediated cross-couplings of aryl phosphates with alkyl bromides". . . Retrieved 2017.
• 6、 Cook,Sutcliffe. "". . p. 957. Retrieved 1968.
• 7、 Wu, Ke,Ling, Yichen,Sun, Nan,Hu, Baoxiang,Shen, Zhenlu,Jin, Liqun,Hu, Xinquan. "Ni-catalyzed reductive decyanation of nitriles with ethanol as the reductant". supporting information. p. 2273 - 2276. Retrieved 2021/03/09.
• 8、 Müller, Valentin,Ghorai, Debasish,Capdevila, Lorena,Messinis, Antonis M.,Ribas, Xavi,Ackermann, Lutz. "C-F activation for C(sp2)-C(sp3) cross-coupling by a secondary phosphine oxide (SPO)-nickel complex". supporting information. p. 7034 - 7040. Retrieved 2020/09/15.