5-Fluoro-1,2,3,4-tetrahydronaphthalene

Base Information

• Chemical Name: 5-Fluoro-1,2,3,4-tetrahydronaphthalene
• CAS No.: 700-45-8
• Molecular Formula: C10H11F
• Molecular Weight: 150.19300
• DSSTox Substance ID: DTXSID90342148
• Nikkaji Number: J145.885J
• Wikidata: Q82112739
• Mol file: 700-45-8.mol

Synonyms:5-Fluoro-1,2,3,4-tetrahydronaphthalene;700-45-8;Naphthalene, 5-fluoro-1,2,3,4-tetrahydro-;SCHEMBL1339376;DTXSID90342148;5-fluoro-1,2,3,4-tetrahydro-naphthalene;5-Fluoro-1,2,3,4-tetrahydronaphthalene #;Y14505

Chemical Property of 5-Fluoro-1,2,3,4-tetrahydronaphthalene

Chemical Property:

• Boiling Point: 213.0±29.0 °C(Predicted)
• PSA: 0.00000
• Density: 1.069±0.06 g/cm3(Predicted)
• LogP: 2.70450
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 150.084478513
• Heavy Atom Count: 11
• Complexity: 133

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2=C(C1)C=CC=C2F
• Uses: 5-Fluoro-1,2,3,4-tetrahydronaphthalene is used in preparation of Sulfonamides as inhibitors of the chemokine receptor CCR8 for the treatment of Eosinophil and Th2-mediated diseases such as asthma, allergic dermatitis, and rheumatoid arthritis.

Technology Process of 5-Fluoro-1,2,3,4-tetrahydronaphthalene

There total 6 articles about 5-Fluoro-1,2,3,4-tetrahydronaphthalene 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: 56.0%

1-amino-5,6,7,8-tetrahydronaphthalene (2217-41-6) → 5-fluoro-tetralin (700-45-8)

Guidance literature:

1-amino-5,6,7,8-tetrahydronaphthalene; With tert.-butylnitrite; boron trifluoride diethyl etherate; In 1,2-dimethoxyethane; at 0 - 20 ℃; for 3h;

In chlorobenzene; at 135 ℃; for 1h;

Reference yield: 56.0%

1,2,3,4-tetrahydronaphthalen-1-amine (2217-40-5) → 5-fluoro-tetralin (700-45-8)

Guidance literature:

1,2,3,4-tetrahydronaphthalen-1-amine; With boron trifluoride diethyl etherate; In 1,2-dimethoxyethane; at 0 - 20 ℃; for 1h;

With tert.-butylnitrite; In 1,2-dimethoxyethane; at 0 ℃; for 2h;

Reference yield:

tert.-butylnitrite (540-80-7) + 1,2,3,4-tetrahydronaphthalen-1-amine (2217-40-5) → 5-fluoro-tetralin (700-45-8)

Guidance literature:

With trifluoroborane diethyl ether; In 1,2-dimethoxyethane; chlorobenzene;

upstream raw materials:

tert.-butylnitrite

1,2,3,4-tetrahydronaphthalen-1-amine

1-amino-5,6,7,8-tetrahydronaphthalene

1-Fluoronaphthalene

Downstream raw materials:

trans-fluorodecalin

1-fluoro(ax)-cis-decalin