8-Fluoronaphthalen-1-amine

Base Information

• Chemical Name: 8-Fluoronaphthalen-1-amine
• CAS No.: 13720-52-0
• Molecular Formula: C10H8 F N
• Molecular Weight: 161.18
• Hs Code.: 2921450090
• DSSTox Substance ID: DTXSID50583015
• Wikidata: Q82474525
• Mol file: 13720-52-0.mol

Synonyms:8-FLUORONAPHTHALEN-1-AMINE;13720-52-0;1-Naphthalenamine, 8-fluoro-;1-amino-8-fluoronaphthalene;MFCD11848620;SCHEMBL4078324;DTXSID50583015;AKOS023810639;SB76720;AS-59497;SY217889;CS-0379786;EN300-311431;W19087

Chemical Property of 8-Fluoronaphthalen-1-amine

Chemical Property:

• PSA: 26.02000
• LogP: 3.14230
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 161.064077422
• Heavy Atom Count: 12
• Complexity: 160

Purity/Quality:

98% ^*data from raw suppliers

8-fluoronaphthalen-1-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C(=C1)N)C(=CC=C2)F

Technology Process of 8-Fluoronaphthalen-1-amine

There total 4 articles about 8-Fluoronaphthalen-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: 97.0%

1H-naphtho[1,8-de][1,2,3]triazine (204-03-5) → 8-fluoronaphthalen-1-ylamine (13720-52-0)

Guidance literature:

With pyridine hydrogenfluoride; at 60 ℃; for 16h; Temperature; Time; Concentration;

DOI:10.1021/op7001535

Reference yield:

naphthalene-1,8-diamine (479-27-6) → 8-fluoronaphthalen-1-ylamine (13720-52-0)

Guidance literature:

Multi-step reaction with 2 steps

1: isopentyl nitrite; acetic acid / ethanol / 24 h / 20 °C / Inert atmosphere

2: copper; hydrogen fluoride; pyridine / 72 h / 20 °C / Cooling with ice

With pyridine; hydrogen fluoride; copper; acetic acid; isopentyl nitrite; In ethanol;

DOI:10.1021/acs.organomet.9b00649

Reference yield:

1-Fluoro-8-nitronaphthalin (13720-47-3) → 8-fluoronaphthalen-1-ylamine (13720-52-0)

Guidance literature:

With ethanol; iron; iron(II) sulfate;

upstream raw materials:

1-Fluoro-8-nitronaphthalin

8-nitro-1-naphthylamine

1H-naphtho[1,8-de][1,2,3]triazine

naphthalene-1,8-diamine

Downstream raw materials:

8-fluoro-1-naphthol