4-Chloro-2-fluoro-5-propargyloxyaniline

Base Information

• Chemical Name: 4-Chloro-2-fluoro-5-propargyloxyaniline
• CAS No.: 84478-65-9
• Molecular Formula: C9H7ClFNO
• Molecular Weight: 199.612
• DSSTox Substance ID: DTXSID70533850
• Nikkaji Number: J573.138K
• Wikidata: Q82407374
• Mol file: 84478-65-9.mol

Synonyms:4-chloro-2-fluoro-5-propargyloxyaniline;84478-65-9;SCHEMBL4592760;DTXSID70533850;LJQYJIZHXPFEBQ-UHFFFAOYSA-N;4-chloro-2-fluoro-5-(2-propynyl)oxyaniline;4-chloro-2-fluoro-5-(2-propynyloxy)aniline;4-Chloro-2-fluoro-5-[(2-propynyl)oxy]aniline;4-chloro-2 fluoro-5-[(2-propynyl)oxy]-aniline;4-Chloro-2-fluoro-5-[(prop-2-yn-1-yl)oxy]aniline

Chemical Property of 4-Chloro-2-fluoro-5-propargyloxyaniline

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 199.0200197
• Heavy Atom Count: 13
• Complexity: 215

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CCOC1=C(C=C(C(=C1)N)F)Cl

Technology Process of 4-Chloro-2-fluoro-5-propargyloxyaniline

There total 4 articles about 4-Chloro-2-fluoro-5-propargyloxyaniline 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:

1-chloro-5-fluoro-4-nitro-2-(2-propynyloxy)benzene + iron (7439-89-6) → 4-chloro-2-fluoro-5-(2-propynyloxy)benzenamine (84478-65-9)

Guidance literature:

In water; acetic acid;

Reference yield:

3-amino-6-chloro-4-fluorophenol hydrochloride (158174-63-1) + propargyl bromide (106-96-7) → 4-chloro-2-fluoro-5-(2-propynyloxy)benzenamine (84478-65-9)

Guidance literature:

With potassium carbonate; In acetonitrile;

Reference yield:

bis(2-chloro-4-fluoro-5-aminophenyl) carbonate (143659-40-9) + propargyl bromide (106-96-7) → 4-chloro-2-fluoro-5-(2-propynyloxy)benzenamine (84478-65-9)

Guidance literature:

With sodium hydroxide; tetrabutylammomium bromide; In water; toluene;

upstream raw materials:

3-amino-6-chloro-4-fluorophenol hydrochloride

propargyl bromide

bis(2-chloro-4-fluoro-5-aminophenyl) carbonate

iron

Downstream raw materials:

S-23142

C₁₅H₁₁ClF₄N₄O₂

C₁₆H₁₁ClFN₅O₂

C₁₆H₁₁ClFN₅O₂