4-Aminophenylsulfur Pentafluoride

Base Information

• Chemical Name: 4-Aminophenylsulfur Pentafluoride
• CAS No.: 2993-24-0
• Molecular Formula: C6H6 F5 N S
• Molecular Weight: 219.178
• Hs Code.: 29319090
• European Community (EC) Number: 640-340-2
• DSSTox Substance ID: DTXSID90381310
• Nikkaji Number: J1.310.272D
• Wikidata: Q82172055
• Mol file: 2993-24-0.mol

Synonyms:4-Aminophenylsulfur Pentafluoride;2993-24-0;4-(Pentafluorothio)aniline;4-Aminophenylsulphur pentafluoride;4-(pentafluoro-lambda6-sulfanyl)aniline;4-(Pentafluorosulfanyl)aniline;4-aminophenylsulfurpentafluoride;4-Aminobenzenesulfur pentafluoride;MFCD01076203;4-(pentafluoro-lambda~6~-sulfanyl)aniline;C6H6F5NS;1-AMINO-4-(PENTAFLUORO-SULFANYL)BENZENE;4-pentafluorosulfanylaniline;4-(Pentafluorosulfur)aniline;SCHEMBL240645;4-aminopentafluorosulfanylbenzene;4-[Pentafluorothio(VI)]aniline;4-pentafluorosulfanyl-phenylamine;AMY3184;DTXSID90381310;MZGZUHNSMNNSRJ-UHFFFAOYSA-N;BBL101550;STL555346;AKOS005254366;CS-W014898;GS-5429;SB77202;SY057195;4-(PENTAFLUORO-??-SULFANYL)ANILINE;EN300-129955;A903312;F0001-0923;Sulfur,(4-aminophenyl)pentafluoro-, (OC-6-21)- (9CI)

Chemical Property of 4-Aminophenylsulfur Pentafluoride

Chemical Property:

• Melting Point: 64oC
• PKA: 2.17±0.10(Predicted)
• PSA: 51.32000
• LogP: 4.50740
• Storage Temp.: Refrigerator
• Solubility.: soluble in Methanol
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 219.01411118
• Heavy Atom Count: 13
• Complexity: 200

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Aminophenylsulfur Pentafluoride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1N)S(F)(F)(F)(F)F

Technology Process of 4-Aminophenylsulfur Pentafluoride

There total 7 articles about 4-Aminophenylsulfur Pentafluoride 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: 100.0%

1-nitro-4-(pentafluorosulfanyl)benzene (2613-27-6) → 4-(pentafluorosulfanyl)aniline (2993-24-0)

Guidance literature:

With hydrogenchloride; iron; In ethanol; water; at 0 - 20 ℃; for 1h;

DOI:10.1021/ol4023326

Reference yield: 94.0%

(4-pentafluorosulfanylphenyl)hydrazine → 4-(pentafluorosulfanyl)aniline (2993-24-0)

Guidance literature:

With hydrogen; In isopropyl alcohol; at 60 - 70 ℃; for 4h; Temperature; Solvent;

Reference yield:

N-benzyl-4-pentafluorosulfanylaniline → 4-(pentafluorosulfanyl)aniline (2993-24-0)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethanol; at 20 ℃; for 1h; Temperature; Time;

upstream raw materials:

1-nitro-4-(pentafluorosulfanyl)benzene

pentafluoro(4-fluorophenyl)-λ⁶-sulfane

diguanidine carbonate

di(p-nitrophenyl) disulfide

Downstream raw materials:

1-bromo-4-pentafluorosulfanylbenzene

2-bromo-4-(pentafluoro-λ⁶-sulfanyl)aniline

2-chloro-4-(pentafluoro-λ⁶-sulfanyl)aniline

2-oxo-2-{[4-(pentafluoro-λ6-sulfanyl)phenyl]amino}ethyl acetate

Refernces

• 1、 Welch, John T.,Lim, Dong Sung. "The synthesis and biological activity of pentafluorosulfanyl analogs of fluoxetine, fenfluramine, and norfenfluramine". . p. 6659 - 6666. Retrieved 2007.
• 2、 -. "METHOD FOR PRODUCING NITROGEN-CONTAINING PENTAFLUOROSULFANYLBENZENE COMPOUND". Paragraph 0087. . Retrieved 2018/01/11.