Chlorbenzoxamine

Base Information

• Chemical Name: Chlorbenzoxamine
• CAS No.: 522-18-9
• Molecular Formula: C27H31 Cl N2 O
• Molecular Weight: 435.009
• Hs Code.: 2933599090
• European Community (EC) Number: 208-323-0
• UNII: N52918SLYN
• DSSTox Substance ID: DTXSID80862108
• Nikkaji Number: J6.619B
• Wikipedia: Chlorbenzoxamine
• Wikidata: Q5102917
• NCI Thesaurus Code: C79940
• Metabolomics Workbench ID: 154568
• ChEMBL ID: CHEMBL2110781
• Mol file: 522-18-9.mol

Synonyms:Chlorbenzoxamine;522-18-9;Clorbenzossamina;Clorbenzoxamina;Chlorbenzoxamine [INN];chlorobenzoxamine;Chlorbenzoxaminum;Clorbenzossamina [DCIT];UNII-N52918SLYN;chlorobenzoxamin;Chlorbenzoxaminum [INN-Latin];Clorbenzoxamina [INN-Spanish];N52918SLYN;chlorbenzoxyethamine;EINECS 208-323-0;Chlorbenzoxamine (INN);Chlorbenzoxamin;1-[2-[(2-chlorophenyl)-phenylmethoxy]ethyl]-4-[(2-methylphenyl)methyl]piperazine;CHLORBENZOXAMINE [MI];SCHEMBL250813;CHEMBL2110781;C27-H31-Cl-N2-O;CHLORBENZOXAMINE [WHO-DD];DTXSID80862108;CHEBI:135708;DB13788;D07093;Q5102917;1-[2-(o-chloro-alpha-phenylbenzyloxy)ethyl]-4-o-methylbenzylpiperazine;1-(2-(O-CHLORO-.ALPHA.-PHENYLBENZYLOXY)ETHYL)-4-O-METHYLBENZYLPIPERAZINE;1-[2-[(2-Chlorophenyl)phenylmethoxy]ethyl]-4-[(2-methylphenyl)methyl]piperazine

Chemical Property of Chlorbenzoxamine

Chemical Property:

• Vapor Pressure: 1.72E-11mmHg at 25°C
• Boiling Point: 534.2°Cat760mmHg
• Flash Point: 276.9°C
• PSA: 15.71000
• Density: 1.144g/cm³
• LogP: 5.44800
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 434.2124913
• Heavy Atom Count: 31
• Complexity: 504

Purity/Quality:

98%min ^*data from raw suppliers

CHLORBENZOXAMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1CN2CCN(CC2)CCOC(C3=CC=CC=C3)C4=CC=CC=C4Cl

Technology Process of Chlorbenzoxamine

There total 3 articles about Chlorbenzoxamine 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:

1-(2-methylbenzyl)piperazine (5321-47-1) → 1-[2-(2-chloro-benzhydryloxy)-ethyl]-4-(2-methyl-benzyl)-piperazine (522-18-9)

Guidance literature:

With triethylamine; xylene;

Reference yield:

2-methylbenzyl bromide (89-92-9) → 1-[2-(2-chloro-benzhydryloxy)-ethyl]-4-(2-methyl-benzyl)-piperazine (522-18-9)

Guidance literature:

Multi-step reaction with 2 steps

1: xylene

2: triethylamine; xylene

With triethylamine; xylene;

Reference yield:

→ 1-[2-(2-chloro-benzhydryloxy)-ethyl]-4-(2-methyl-benzyl)-piperazine (522-18-9)

Guidance literature:

upstream raw materials:

1-(2-methylbenzyl)piperazine

2-methylbenzyl bromide