Naphthalene, 2-(1-ethylpropyl)-

Base Information

• Chemical Name: Naphthalene, 2-(1-ethylpropyl)-
• CAS No.: 3042-57-7
• Molecular Formula: C15H18
• Molecular Weight: 198.308
• Hs Code.: 2902909090
• NSC Number: 114549
• DSSTox Substance ID: DTXSID40952756
• Wikidata: Q82931435
• Mol file: 3042-57-7.mol

Synonyms:3042-57-7;2-(pentan-3-yl)naphthalene;Naphthalene, 2-(1-ethylpropyl)-;2-pentan-3-ylnaphthalene;2-(1-Ethylpropyl)-Napthalene;NSC114549;2-(1-Ethylpropyl)naphthalene;ETHYLPROPYL)-NAPTHALENE;AMY5943;DTXSID40952756;AKOS027470101;NSC-114549;AS-60424;CS-0069843;H11574

Chemical Property of Naphthalene, 2-(1-ethylpropyl)-

Chemical Property:

• Vapor Pressure: 0.00234mmHg at 25°C
• Boiling Point: 297.8°Cat760mmHg
• Flash Point: 136.4°C
• PSA: 0.00000
• Density: 0.959g/cm³
• LogP: 4.74340
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 198.140850574
• Heavy Atom Count: 15
• Complexity: 181

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-(Pentan-3-yl)naphthalene 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CC)C1=CC2=CC=CC=C2C=C1

Technology Process of Naphthalene, 2-(1-ethylpropyl)-

There total 15 articles about Naphthalene, 2-(1-ethylpropyl)- 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: 94.0%

2-(3-methoxypentan-3-yl)naphthalene → 2-(pentan-3-yl)naphthalene (3042-57-7)

Guidance literature:

With chromium dichloride; potassium methanolate; cesium fluoride; 4,4'-di-tert-butyl-2,2'-bipyridine; In tetrahydrofuran; at 120 ℃; for 12h; Schlenk technique; Inert atmosphere;

DOI:10.1055/a-1507-6419

Reference yield: 86.0%

3-bromopentane (1809-10-5) + 2-naphthyl triflate (3857-83-8) → 2-pentylnaphthalene (93-22-1) + 2-(pentan-3-yl)naphthalene (3042-57-7)

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; 2-(dibutylphosphanyl)-1-phenylpyrrole; magnesium; lithium chloride; zinc(II) chloride; In tetrahydrofuran; at 60 ℃; for 16h; Inert atmosphere; Glovebox; Sealed tube;

DOI:10.1002/anie.201608535

Reference yield: 70.0%

3-bromopentane (1809-10-5) + 2-bromonaphthalene (580-13-2) → 2-(pentan-3-yl)naphthalene (3042-57-7)

Guidance literature:

2-bromonaphthalene; With iodine; magnesium; In tetrahydrofuran; at 60 ℃; Inert atmosphere; Reflux;

3-bromopentane; With (FeCl₃)2(TMEDA)3; In tetrahydrofuran; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1021/ol1003093

upstream raw materials:

3-Hydroxy-<2>naphthyl-pentan

2-naphthalenylmagnesium bromide

pentan-3-one

ethene

Refernces

• 1、 Zhang, Ke-Feng,Christoffel, Fadri,Baudoin, Olivier. "Barbier–Negishi Coupling of Secondary Alkyl Bromides with Aryl and Alkenyl Triflates and Nonaflates". . p. 1982 - 1986. Retrieved 2018/02/06.
• 2、 Wisniewska, Hanna M.,Swift, Elizabeth C.,Jarvo, Elizabeth R.. "Functional-group-tolerant, nickel-catalyzed cross-coupling reaction for enantioselective construction of tertiary methyl-bearing stereocenters". . p. 9083 - 9090. Retrieved 2013/07/26.