N-Phenyl-5,6,7,8-tetrahydronaphthalen-1-amine

Base Information

• Chemical Name: N-Phenyl-5,6,7,8-tetrahydronaphthalen-1-amine
• CAS No.: 78440-75-2
• Molecular Formula: C16H17N
• Molecular Weight: 223.318
• DSSTox Substance ID: DTXSID00508632
• Nikkaji Number: J2.161.392D
• Wikidata: Q82365727

Synonyms:N-Phenyl-5,6,7,8-tetrahydronaphthalen-1-amine;78440-75-2;SCHEMBL3428962;DTXSID00508632

Chemical Property of N-Phenyl-5,6,7,8-tetrahydronaphthalen-1-amine

Chemical Property:

• PSA: 12.03000
• LogP: 4.38200
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 223.136099547
• Heavy Atom Count: 17
• Complexity: 232

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2=C(C1)C=CC=C2NC3=CC=CC=C3

Technology Process of N-Phenyl-5,6,7,8-tetrahydronaphthalen-1-amine

There total 5 articles about N-Phenyl-5,6,7,8-tetrahydronaphthalen-1-amine 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: 86.0%

→ phenyl(5,6,7,8-tetrahydronaphthalen-1-yl)amine (78440-75-2)

Guidance literature:

With tri-tert-butyl phosphine; palladium diacetate; sodium t-butanolate; In toluene; for 2h; Inert atmosphere; Reflux;

Reference yield: 63.0%

1,2-diethynylcyclohex-1-ene (21336-06-1) + aniline (62-53-3) → 2-(5,6,7,8-tetrahydronaphthalen-1-yl)phenylamine + phenyl(5,6,7,8-tetrahydronaphthalen-1-yl)amine (78440-75-2)

Guidance literature:

With [(tris(1-pyrazolyl)borate)Ru(P(phenyl)3)(CH₃CN)2]PF₆; at 100 ℃; for 15h;

DOI:10.1021/ja043047j

Reference yield:

N-Phenyl-N-(5,6,7,8-tetrahydro-naphthalen-1-yl)-acetamide (78440-74-1) → phenyl(5,6,7,8-tetrahydronaphthalen-1-yl)amine (78440-75-2)

Guidance literature:

With potassium hydroxide; In ethanol; for 16h; Heating;

upstream raw materials:

N-Phenyl-N-(5,6,7,8-tetrahydro-naphthalen-1-yl)-acetamide

1,2-diethynylcyclohex-1-ene

aniline

bromobenzene

Downstream raw materials:

11H-benzo[a]carbazole

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