2-Bromo-benzimidic acid ethyl ester

Base Information

• Chemical Name: 2-Bromo-benzimidic acid ethyl ester
• CAS No.: 77250-66-9
• Molecular Formula: C₉H₁₀BrNO
• Molecular Weight: 228.088
• DSSTox Substance ID: DTXSID10507015
• Nikkaji Number: J1.818.945C
• Wikidata: Q82363021
• Mol file: 77250-66-9.mol

Synonyms:77250-66-9;2-BROMO-BENZIMIDIC ACID ETHYL ESTER;SCHEMBL10665661;DTXSID10507015;Ethyl 2-bromobenzene-1-carboximidate;AKOS010212027

Chemical Property of 2-Bromo-benzimidic acid ethyl ester

Chemical Property:

• PSA: 33.08000
• LogP: 2.91070
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 226.99458
• Heavy Atom Count: 12
• Complexity: 161

Purity/Quality:

99%min ^*data from raw suppliers

2-Bromo-benzimidicacidethylester 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=N)C1=CC=CC=C1Br

Technology Process of 2-Bromo-benzimidic acid ethyl ester

There total 3 articles about 2-Bromo-benzimidic acid ethyl 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: 65.0%

2-Bromobenzamide (4001-73-4) + triethyloxonium fluoroborate (368-39-8) → ethyl 2-bromobenzimidate (77250-66-9)

Guidance literature:

In dichloromethane; at 20 ℃; for 38h; Inert atmosphere;

Reference yield: 50.0%

2-Bromobenzamide (4001-73-4) + (1S,2S)-2-amino-1-phenyl-1,3-diol (28143-91-1) → ethyl 2-bromobenzimidate (77250-66-9) + (4S,5S)-4,5-dihydro-2-(2'-bromophenyl)-4-(hydroxymethyl)-5-phenyloxazole (77250-62-5)

Guidance literature:

With triethyloxonium fluoroborate; In 1,2-dichloro-ethane; Mechanism; 1.) RT, 20 h, 2.) reflux, 18 h, other substituted amides, other amines;

Reference yield:

ethanol (64-17-5) + o-cyanobromobenzene (2042-37-7) → ethyl 2-bromobenzimidate (77250-66-9)

Guidance literature:

With acetyl chloride; at 20 ℃; for 6h;

DOI:10.1021/acs.orglett.0c00928

upstream raw materials:

2-Bromobenzamide

(1S,2S)-2-amino-1-phenyl-1,3-diol

triethyloxonium fluoroborate

ethanol

Refernces

• 1、 -. "METAL COMPLEX AND LIGHT EMITTING DEVICE USING THE SAME". Paragraph 0493; 0494. . Retrieved 2017/07/06.