1-Benzylnaphthalene

Base Information

• Chemical Name: 1-Benzylnaphthalene
• CAS No.: 611-45-0
• Molecular Formula: C17H14
• Molecular Weight: 218.298
• European Community (EC) Number: 661-210-1
• DSSTox Substance ID: DTXSID20870686
• Nikkaji Number: J94.939F
• Mol file: 611-45-0.mol

Synonyms:1-Benzylnaphthalene;611-45-0;Naphthalene, 1-(phenylmethyl)-;1-benzyl-naphthalene;(PHENYLMETHYL)NAPHTHALENE;38620-92-7;1-Benzyl-naphthalin;1-(phenylmethyl)naphthalene;phenyl-I+/--naphthylmethane;KTHUKEZOIFYPEH-UHFFFAOYSA-;DTXSID20870686;STK365506;AKOS005442879;InChI=1/C17H14/c1-2-7-14(8-3-1)13-16-11-6-10-15-9-4-5-12-17(15)16/h1-12H,13H2

Chemical Property of 1-Benzylnaphthalene

Chemical Property:

• Vapor Pressure: 9.15E-05mmHg at 25°C
• Melting Point: 59.5°C
• Refractive Index: 1.5566 (estimate)
• Boiling Point: 350°C at 760 mmHg
• Flash Point: 163.8°C
• PSA: 0.00000
• Density: 1.075g/cm³
• LogP: 4.43060
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 218.109550447
• Heavy Atom Count: 17
• Complexity: 226

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC2=CC=CC3=CC=CC=C32

Technology Process of 1-Benzylnaphthalene

There total 121 articles about 1-Benzylnaphthalene 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: 99.0%

1-Naphthylboronic acid (13922-41-3) + benzyl chloride (100-44-7) → 1-Benzyl-naphthalene (611-45-0)

Guidance literature:

With C₃₄H₄₁Cl₂N₃OPd; potassium tert-butylate; In water; isopropyl alcohol; at 80 ℃; for 15h; Schlenk technique; Inert atmosphere;

DOI:10.1016/j.jorganchem.2015.12.039

Reference yield: 98.0%

1-Fluoronaphthalene (321-38-0) + benzyl chloride (100-44-7) → 1-Benzyl-naphthalene (611-45-0)

Guidance literature:

With Ni(PPh₃)(1,3-di-tert-butylimidazol-2-ylidene)Br₂; magnesium; In tetrahydrofuran; at 0 - 35 ℃; for 24h; Schlenk technique; Inert atmosphere;

DOI:10.1021/acs.orglett.6b01134

Reference yield: 96.0%

benzyl chloride (100-44-7) + 1-Chloronaphthalene (90-13-1) → 1-Benzyl-naphthalene (611-45-0)

Guidance literature:

With Ni(PPh₃)(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)Br₂; magnesium; In tetrahydrofuran; at 0 - 25 ℃; for 1.16667h; Schlenk technique; Inert atmosphere;

DOI:10.1021/acs.orglett.6b01134

upstream raw materials:

naphthalene

(n-propylphenyl)methyl alcohol

benzyl benzenesulfonate

(2-ethylphenyl)methanol

Downstream raw materials:

(4-benzylnaphthalen-1-yl)(phenyl)methanone

naphthalene

1,10-trimethylenephenanthrene

7H-benz[d,e]anthracene

Refernces

• 1、 -. "METHOD FOR PRODUCING ARENE COMPOUNDS AND ARENE COMPOUNDS PRODUCED BY THE SAME". Paragraph 0073. . Retrieved 2021/06/26.
• 2、 Piontek, Aleksandra,Och?dzan-Siod?ak, Wioletta,Bisz, Elwira,Szostak, Michal. "Nickel-Catalyzed C(sp2)?C(sp3) Kumada Cross-Coupling of Aryl Tosylates with Alkyl Grignard Reagents". supporting information. p. 2329 - 2336. Retrieved 2019/04/13.