3-Chloro-benzimidic acid ethyl ester

Base Information

• Chemical Name: 3-Chloro-benzimidic acid ethyl ester
• CAS No.: 827-64-5
• Molecular Formula: C₉H₁₀ClNO
• Molecular Weight: 183.637
• Hs Code.: 2916310090
• DSSTox Substance ID: DTXSID40456143
• Wikidata: Q82278365
• Mol file: 827-64-5.mol

Synonyms:827-64-5;3-CHLORO-BENZIMIDIC ACID ETHYL ESTER;ETHYL 3-CHLOROBENZENECARBOXIMIDATE;Benzenecarboximidicacid, 3-chloro-, ethyl ester;3-chlorobenzimidic acid ethyl ester;SCHEMBL1544957;DTXSID40456143;OPYSSPVJNQBDQR-UHFFFAOYSA-N;m-chlorobenzimidic acid ethyl ester;Ethyl 3-chlorobenzene-1-carboximidate;AKOS010211711;3-Chloro-benzimidic acid ethyl ester, 3-chloro-, ethyl ester

Chemical Property of 3-Chloro-benzimidic acid ethyl ester

Chemical Property:

• PSA: 33.08000
• LogP: 2.80160
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 183.0450916
• Heavy Atom Count: 12
• Complexity: 161

Purity/Quality:

99%min ^*data from raw suppliers

Ethyl3-chlorobenzenecarboximidatehydrochloride >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=C1)Cl

Technology Process of 3-Chloro-benzimidic acid ethyl ester

There total 1 articles about 3-Chloro-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:

ethanol (64-17-5) + 3-chloro-benzonitrile (766-84-7) → ethyl 3-chlorobenzenecarboximidate hydrochloride (827-64-5,75782-97-7,75782-98-8)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; at 20 ℃; for 48h;

Reference yield: 89.0%

2-aminopyridine (504-29-0) + ethyl 3-chlorobenzenecarboximidate hydrochloride (827-64-5,75782-97-7,75782-98-8) → 2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine (1192469-27-4)

Guidance literature:

With [bis(acetoxy)iodo]benzene; acetic acid; In acetonitrile; at 20 ℃;

DOI:10.1055/s-0037-1611854

Reference yield: 88.0%

5-phenyloxazol-2(5H)-one (14442-09-2) + ethyl 3-chlorobenzenecarboximidate hydrochloride (827-64-5,75782-97-7,75782-98-8) → 6-chloro-4-ethoxy-2-phenylquinazoline

Guidance literature:

With [(1,2,3,4,5-pentamethylcyclopentadienyl)*Co(CH₃CN)₃](SbF₆)₂; In 1,2-dichloro-ethane; at 100 ℃; for 13h; under 760.051 Torr;

DOI:10.1002/anie.201603260

upstream raw materials:

ethanol

3-chloro-benzonitrile

Downstream raw materials:

2-(3-Chloro-phenyl)-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-ol

2-(3-Chloro-phenyl)-6,7,8,9-tetrahydro-5H-10-thia-1,3-diaza-benzo[a]azulen-4-ol

2-(3-chlorophenyl)-pyrimidin-4-one

3-p-Chlorophenyl-5c-phenyl-2-oxa-4-aza-1r,6c-bicyclo<4.4.0>dec-3-ene

Refernces

• 1、 -. "HETEROARYL INHIBITORS OF PDE4". Paragraph 0555. . Retrieved 2014/05/24.