2-Bromo-1-ethylpyridinium tetrafluoroborate

Base Information

• Chemical Name: 2-Bromo-1-ethylpyridinium tetrafluoroborate
• CAS No.: 878-23-9
• Molecular Formula: C7H9BrN^.BF4
• Molecular Weight: 273.864
• Hs Code.: 29333990
• European Community (EC) Number: 212-900-2
• DSSTox Substance ID: DTXSID60236646
• Mol file: 878-23-9.mol

Synonyms:878-23-9;2-Bromo-1-ethylpyridinium tetrafluoroborate;2-bromo-1-ethylpyridin-1-ium tetrafluoroborate;bep tetrafluoroborate;2-bromo-1-ethyl-pyridin-1-ium tetrafluoroborate;bromoethylpyridiniumtetrafluoroborate;2-bromo-1-ethylpyridin-1-ium;tetrafluoroborate;2-Bromo-1-ethyl-pyridinium tetrafluoroborate;EINECS 212-900-2;MFCD00060046;C7H9BBrF4N;C7H9BrN.BF4;SCHEMBL120909;C7-H9-Br-N.B-F4;DTXSID60236646;YJDXVQLBIAJTHP-UHFFFAOYSA-N;AKOS015832928;AM83812;CS-W012340;2-brom-1-ethyl-pyridiniumtetrafluoroborat;MS-20500;2-bromo-1-ethyl pyridinium tetrafluoroborate;B1036;FT-0611379;2-bromo-1-ethylpyridin-1-iumtetrafluoroborate;D77732;A842381;J-508176

Chemical Property of 2-Bromo-1-ethylpyridinium tetrafluoroborate

Chemical Property:

• Appearance/Colour: white crystals
• Melting Point: 102-104 °C
• PSA: 3.88000
• LogP: 3.05650
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Water Solubility.: very faint turbidity
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 272.99475
• Heavy Atom Count: 14
• Complexity: 104

Purity/Quality:

98% ^*data from raw suppliers

2-Bromo-1-ethylpyridinium Tetrafluoroborate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 22-24/25-36/37/39-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: [B-](F)(F)(F)F.CC[N+]1=CC=CC=C1Br
• Uses: 2-Bromo-1-ethylpyridinium Tetrafluoroborate is a carboxyl activation and coupling reagent for peptide synthesis. 2-Bromo-1-ethyl-pyridinium tetrafluoroborate can be used as a coupling reagent for:The synthesis of N-methylated peptides in solution and solid phase.The synthesis of cyclosporin A fragment and dolastatin 15 pentapeptide moiety.

Technology Process of 2-Bromo-1-ethylpyridinium tetrafluoroborate

There total 2 articles about 2-Bromo-1-ethylpyridinium tetrafluoroborate 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: 95.2%

2-bromo-pyridine (109-04-6) + triethyloxonium fluoroborate (368-39-8) → 2-bromo-1-ethylpyridin-1-ium tetrafluoroborate (878-23-9)

Guidance literature:

In 1,2-dichloro-ethane; at 20 - 50 ℃;

DOI:10.1016/S0040-4020(00)00657-8

Reference yield:

→ 2-bromo-1-ethylpyridin-1-ium tetrafluoroborate (878-23-9)

Guidance literature:

aus Triaethyloxoniumtetrafluoroborat, o-subst. Pyridinderivat;

DOI:10.1002/hlca.19710540812

Reference yield:

2-bromo-1-ethylpyridin-1-ium tetrafluoroborate (878-23-9) → trifluoroacetic acid (76-05-1)

Guidance literature:

With pyridine;

upstream raw materials:

2-bromo-pyridine

triethyloxonium fluoroborate

Downstream raw materials:

tert-butyl (3R,4S,5S)-4-[(2S)-2-[[(benzyloxy)carbonyl]amino]-N,3-dimethylbutanamido]-3-methoxy-5-methylheptanoate

trifluoroacetic acid

Refernces

• 1、 Coffin, Aaron,Ready, Joseph M.. "Selective Synthesis of (+)-Dysoline". supporting information. p. 648 - 651. Retrieved 2019/01/26.
• 2、 Li, Peng,Xu, Jie-Cheng. "1-Ethyl 2-halopyridinium salts, highly efficient coupling reagents for hindered peptide synthesis both in solution and the solid-phase". . p. 8119 - 8131. Retrieved 2007/10/03.