4-(1H,1H-Heptafluorobutoxy)aniline

Base Information

• Chemical Name: 4-(1H,1H-Heptafluorobutoxy)aniline
• CAS No.: 142706-74-9
• Molecular Formula: C₁₀H₈F₇NO
• Molecular Weight: 291.168
• DSSTox Substance ID: DTXSID50895721
• Wikidata: Q82872017

Synonyms:4-(1H,1H-Heptafluorobutoxy)aniline;142706-74-9;4-(2,2,3,3,4,4,4-heptafluorobutoxy)aniline;SCHEMBL3040360;DTXSID50895721;MSKXUCZYFWBJQG-UHFFFAOYSA-N;NS00110739;4-(2,2,3,3,4,4,4-Heptafluoro-butoxy)-phenylamine

Chemical Property of 4-(1H,1H-Heptafluorobutoxy)aniline

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 291.04941101
• Heavy Atom Count: 19
• Complexity: 297

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1N)OCC(C(C(F)(F)F)(F)F)(F)F

Technology Process of 4-(1H,1H-Heptafluorobutoxy)aniline

There total 2 articles about 4-(1H,1H-Heptafluorobutoxy)aniline 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:

4-nitro-1-(2,2,3,3,4,4,4-heptafluorobutoxy)benzene (109230-68-4) → 4-(2',2',3',3',4',4',4'-heptafluorobutoxy)aniline (142706-74-9)

Guidance literature:

With hydrogenchloride; tin(ll) chloride; at 100 ℃; for 2h; Yield given;

DOI:10.1016/S0022-1139(97)00076-6

Reference yield:

→ 4-(2',2',3',3',4',4',4'-heptafluorobutoxy)aniline (142706-74-9)

Guidance literature:

Reference yield:

methyl-4-(4-oxopiperidin-1-yl)-benzoate (936447-61-9) + 4-(2',2',3',3',4',4',4'-heptafluorobutoxy)aniline (142706-74-9) → methyl 4-[[[4-(2,2,3,3,4,4,4-heptafluorobut-1-oxy)phenylamino]-1-piperidinyl]methyl]benzoate

Guidance literature:

With sodium tris(acetoxy)borohydride; acetic acid; In dichloromethane; water; at 20 ℃; for 49h;

upstream raw materials:

4-nitro-1-(2,2,3,3,4,4,4-heptafluorobutoxy)benzene

Downstream raw materials:

methyl 4-[[4-(2,2,3,3,4,4,4-heptafluorobut-1-oxy)anilino]-1-piperidinylmethyl]benzoate

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