BENZENAMINIUM, N,N,N-TRIMETHYL-4-[[(PENTAMETHYLPHENYL)METHOXY]CARBONYL]-, SALT WITH TRIFLUOROMETHANESULFONIC ACID

Base Information

• Chemical Name: BENZENAMINIUM, N,N,N-TRIMETHYL-4-[[(PENTAMETHYLPHENYL)METHOXY]CARBONYL]-, SALT WITH TRIFLUOROMETHANESULFONIC ACID
• CAS No.: 223699-69-2
• Molecular Formula: C23H30F3NO5S
• Molecular Weight: 489.55
• Mol file: 223699-69-2.mol

Synonyms:Pentamethylbenzyl-(4-trimethylammonium)benzoat,;Pentamethylbenzyl-(4-trimethylammonium)benzoat, trifluoroacetate salt;

Chemical Property of BENZENAMINIUM, N,N,N-TRIMETHYL-4-[[(PENTAMETHYLPHENYL)METHOXY]CARBONYL]-, SALT WITH TRIFLUOROMETHANESULFONIC ACID

Chemical Property:

• PSA: 91.88000
• LogP: 5.91450

Purity/Quality:

98%min ^*data from raw suppliers

N,N,N-TRIMETHYL-4-[[(PENTAMETHYLPHENYL)METHOXY]CARBONYL]SALT WITH TRIFLUOROMETHANESULFONIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of BENZENAMINIUM, N,N,N-TRIMETHYL-4-[[(PENTAMETHYLPHENYL)METHOXY]CARBONYL]-, SALT WITH TRIFLUOROMETHANESULFONIC ACID

There total 3 articles about BENZENAMINIUM, N,N,N-TRIMETHYL-4-[[(PENTAMETHYLPHENYL)METHOXY]CARBONYL]-, SALT WITH TRIFLUOROMETHANESULFONIC ACID 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: 37.0%

methyl trifluoromethanesulfonate (333-27-7) + 2,3,4,5,6-pentamethylbenzyl 4-(N,N-dimethylamino)benzoate → 2,3,4,5,6-pentamethylbenzyl 4-trimethylammoniobenzoate trifluoromethanesulfonate (223699-69-2)

Guidance literature:

In dichloromethane;

DOI:10.1002/jlcr.1029

Reference yield:

2,3,4,5,6-pentamethylbenzyl chloride (484-65-1) → 2,3,4,5,6-pentamethylbenzyl 4-trimethylammoniobenzoate trifluoromethanesulfonate (223699-69-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 63 percent / triethylamine / dimethylformamide / 20 °C

2: 37 percent / CH₂Cl₂

With triethylamine; In dichloromethane; N,N-dimethyl-formamide;

DOI:10.1002/jlcr.1029

Reference yield:

p-N,N-dimethylaminobenzoic acid (619-84-1) → 2,3,4,5,6-pentamethylbenzyl 4-trimethylammoniobenzoate trifluoromethanesulfonate (223699-69-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 63 percent / triethylamine / dimethylformamide / 20 °C

2: 37 percent / CH₂Cl₂

With triethylamine; In dichloromethane; N,N-dimethyl-formamide;

DOI:10.1002/jlcr.1029

upstream raw materials:

methyl trifluoromethanesulfonate

2,3,4,5,6-pentamethylbenzyl chloride

p-N,N-dimethylaminobenzoic acid

Downstream raw materials:

4-[¹⁸F]fluorobenzoic acid

N-[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl]-4-[18F]-fluorobenzamide

Refernces