N-Ethylbenzisoxazolium tetrafluoroborate

Base Information

• Chemical Name: N-Ethylbenzisoxazolium tetrafluoroborate
• CAS No.: 4611-62-5
• Molecular Formula: C9H10NO+
• Molecular Weight: 234.989
• Hs Code.: 2934999090
• European Community (EC) Number: 225-019-3
• DSSTox Substance ID: DTXSID30196728
• Mol file: 4611-62-5.mol

Synonyms:4611-62-5;N-ETHYLBENZISOXAZOLIUM TETRAFLUOROBORATE;EINECS 225-019-3;2-Ethyl-1,2-benzisoxazole tetrafluoroborate;N-ETHYLBENZISOXAZOLIUMTETRAFLUOROBORATE;2-ethyl-1,2-benzoxazol-2-ium;tetrafluoroborate;C9H10NO.BF4;SCHEMBL2154968;DTXSID30196728;C9-H10-N-O.B-F4;AKOS024318905;NSC 308785;FT-0635373;2-ethylbenzo[d]isoxazol-2-ium tetrafluoroborate

Chemical Property of N-Ethylbenzisoxazolium tetrafluoroborate

Chemical Property:

• Melting Point: 108-110oC(lit.)
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 17.02000
• Density: g/cm³
• LogP: 3.04020
• Storage Temp.: Store at 0-5°C
• Sensitive.: Hygroscopic
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 235.0791568
• Heavy Atom Count: 16
• Complexity: 157

Purity/Quality:

99% ^*data from raw suppliers

N-ETHYLBENZISOXAZOLIUM FLUOROBORATE Aldrich ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: [B-](F)(F)(F)F.CC[N+]1=CC2=CC=CC=C2O1

Technology Process of N-Ethylbenzisoxazolium tetrafluoroborate

There total 2 articles about N-Ethylbenzisoxazolium 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:

salicylaldehyde (90-02-8) → 2-ethylbenzisoxazolium fluoroborate (4611-62-5)

Guidance literature:

Multi-step reaction with 2 steps

1: NH₂OSO₃H, Na₂SO₄ / H₂O

2: CH₂Cl₂

With sodium sulfate; hydroxylamine-O-sulfonic acid; In dichloromethane; water;

DOI:10.1016/S0040-4020(01)96921-2

Reference yield:

1,2-benzisoxazole (271-95-4) + triethyloxonium fluoroborate (368-39-8) → 2-ethylbenzisoxazolium fluoroborate (4611-62-5)

Guidance literature:

In dichloromethane;

DOI:10.1016/S0040-4020(01)96921-2

Reference yield:

2-ethylbenzisoxazolium fluoroborate (4611-62-5) → [(R)-2-(2-{2-[(R)-2-(2-{2-[(R)-2-(2-Amino-acetylamino)-3-benzylsulfanyl-propionylamino]-acetylamino}-acetylamino)-3-benzylsulfanyl-propionylamino]-acetylamino}-acetylamino)-3-benzylsulfanyl-propionylamino]-acetic acid 2-ethylcarbamoyl-phenyl ester; compound with trifluoro-acetic acid

Guidance literature:

Multi-step reaction with 2 steps

1: NaOH, pyridine / acetonitrile; H₂O / 1.) 0 deg C, 45 min, 2.) RT, 15 min

2: 0.5 h

With pyridine; sodium hydroxide; In water; acetonitrile;

DOI:10.1021/jo00350a077

upstream raw materials:

1,2-benzisoxazole

triethyloxonium fluoroborate

salicylaldehyde

Downstream raw materials:

O-Hippuryl-N-aethyl-salicylamid

2-Hydroxy-N-aethyl-benzimido-nitril

2-Hydroxy-N-aethyl-benzimid-methylester

O-Methoxyacetyl-N-aethyl-salicylamid