Boron, (4-chlorobenzenamine-kappaN)trifluoro-, (T-4)-

Base Information

• Chemical Name: Boron, (4-chlorobenzenamine-kappaN)trifluoro-, (T-4)-
• CAS No.: 3376-27-0
• Molecular Formula: C20H17 N O
• Molecular Weight: 287.361
• NSC Number: 146536
• Mol file: 3376-27-0.mol

Synonyms:NSC146536;EINECS 223-812-9;[(p-chlorophenyl)amine]trifluoroboron;NSC-146536;Boron, (4-chlorobenzenamine)trifluoro-, (T-4)-;Boron, (4-chlorobenzenamine-kappaN)trifluoro-, (T-4)-;Aniline, p-chloro-, compound with boron fluoride (BF3) (1:1);3376-27-0

Chemical Property of Boron, (4-chlorobenzenamine-kappaN)trifluoro-, (T-4)-

Chemical Property:

• Vapor Pressure: 1.56E-08mmHg at 25°C
• Boiling Point: 469.4°Cat760mmHg
• Flash Point: 216.7°C
• Density: 1.131g/cm³
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 287.131014166
• Heavy Atom Count: 22
• Complexity: 329

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C=[N+](C(C2=CC=CC=C2)C3=CC=CC=C3)[O-]
• Isomeric SMILES: C1=CC=C(C=C1)/C=[N+](/C(C2=CC=CC=C2)C3=CC=CC=C3)\[O-]

Technology Process of Boron, (4-chlorobenzenamine-kappaN)trifluoro-, (T-4)-

There total 10 articles about Boron, (4-chlorobenzenamine-kappaN)trifluoro-, (T-4)- 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: 77.0%

benzaldehyde (100-52-7) + benzophenone oxime (1485-71-8) → N-benzylidene-1,1-diphenylmethanamine N-oxide (3376-27-0)

Guidance literature:

With magnesium sulfate; In toluene; at 20 ℃; for 26h;

DOI:10.1007/s00706-015-1568-7

Reference yield:

Benzophenone oxime (574-66-3) + benzyl bromide (100-39-0) → benzophenone (119-61-9) + methanone-diphenyl-O-(phenylmethyl)oxime (3362-43-4) + N-benzylidene-1,1-diphenylmethanamine N-oxide (3376-27-0)

Guidance literature:

Multistep reaction; (i) EtONa, EtOH, (ii) /BRN= 385801/;

DOI:10.1021/ja00866a027

Reference yield:

benzaldehyde (100-52-7) + benzophenone oxime (1485-71-8) → (Z)-N-benzylidenediphenylmethylamine N-oxide (3376-27-0,956599-67-0)

Guidance literature:

In dichloromethane; at 20 ℃;

DOI:10.1021/ol702123n

upstream raw materials:

N-benzhydryl-N-benzyl-hydroxylamine

Benzophenone oxime

benzyl bromide

benzaldehyde

Downstream raw materials:

N-benzhydryl-α,α-diphenylnitrone

benzophenone

benzaldehyde

benzophenone oxime

Refernces

• 1、 Hashimoto, Takuya,Omote, Masato,Kano, Taichi,Maruoka, Keiji. "Asymmetric 1,3-dipolar cycloadditions of nitrones and methacrolein catalyzed by chiral bis-titanium Lewis acid: A dramatic effect of N-substituent on nitrone". . p. 4805 - 4808. Retrieved 2008/03/15.