Ethanimidic acid, 2,2,2-trichloro-, (4-bromophenyl)methyl ester

Base Information

• Chemical Name: Ethanimidic acid, 2,2,2-trichloro-, (4-bromophenyl)methyl ester
• CAS No.: 146285-52-1
• Molecular Formula: C9H7BrCl3NO
• Molecular Weight: 331.424
• DSSTox Substance ID: DTXSID10441586
• Nikkaji Number: J1.448.810C
• Wikidata: Q82258383
• Mol file: 146285-52-1.mol

Synonyms:146285-52-1;Ethanimidic acid, 2,2,2-trichloro-, (4-bromophenyl)methyl ester;SCHEMBL2221024;DTXSID10441586;WQEXDJSXJGBFFM-UHFFFAOYSA-N;2,2,2-Trichloroacetimidic acid 4-bromobenzyl ester;2,2,2-trichloro-acetimidic acid 4-bromo-benzyl ester

Chemical Property of Ethanimidic acid, 2,2,2-trichloro-, (4-bromophenyl)methyl ester

Chemical Property:

• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 328.87766
• Heavy Atom Count: 15
• Complexity: 224

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1COC(=N)C(Cl)(Cl)Cl)Br

Technology Process of Ethanimidic acid, 2,2,2-trichloro-, (4-bromophenyl)methyl ester

There total 1 articles about Ethanimidic acid, 2,2,2-trichloro-, (4-bromophenyl)methyl ester 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: 99.0%

4-bromobenzenemethanol (873-75-6) + trichloroacetonitrile (545-06-2) → (4-bromobenzyl)-2,2,2-trichloroacetimidate (146285-52-1)

Guidance literature:

4-bromobenzenemethanol; With sodium hydride; In tetrahydrofuran; mineral oil; at 25 ℃; Inert atmosphere;

trichloroacetonitrile; In tetrahydrofuran; mineral oil; at 0 - 25 ℃; Inert atmosphere;

Reference yield: 88.0%

(4-bromobenzyl)-2,2,2-trichloroacetimidate (146285-52-1) + L-mannaro-1,4:3,6-di-γ-lactone (214038-58-1) → 2,5-O-bis(4-bromobenzyl)-L-mannaro-1,4:3,6-dilactone (214139-73-8)

Guidance literature:

With trifluorormethanesulfonic acid; In 1,4-dioxane; for 2h;

DOI:10.1021/jm9910371

Reference yield: 77.0%

(4-bromobenzyl)-2,2,2-trichloroacetimidate (146285-52-1) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 1-benzyl-4-bromo-benzene (2116-36-1)

Guidance literature:

With trimethylsilyl trifluoromethanesulfonate; In dichloromethane; for 15h;

DOI:10.1055/s-2006-944217

upstream raw materials:

4-bromobenzenemethanol

trichloroacetonitrile

Downstream raw materials:

3-<1-(triphenylmethyl)imidazol-4(5)-yl>propyl 4-bromobenzyl ether

2,5-O-bis(4-bromobenzyl)-L-mannaro-1,4:3,6-dilactone

1-benzyl-4-bromo-benzene

(R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3-Hydroxy-10,13-dimethyl-12-(4-pyridin-4-yl-benzyloxy)-hexadecahydro-cyclopenta[a]phenanthren-17-yl]-pentanoic acid methyl ester

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