2-[(2,4-dichlorophenoxy)methyl]-1H-benzimidazole

Base Information

• Chemical Name: 2-[(2,4-dichlorophenoxy)methyl]-1H-benzimidazole
• CAS No.: 3156-21-6
• Molecular Formula: C14H10 Cl2 N2 O
• Molecular Weight: 293.15
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID70185459
• Nikkaji Number: J26.639F
• Wikidata: Q83056483
• Mol file: 3156-21-6.mol

Synonyms:3156-21-6;2-[(2,4-dichlorophenoxy)methyl]-1H-benzimidazole;BRN 0889581;2-(2,4-Dichloro-phenoxymethyl)-1H-benzoimidazole;2-((2,4-dichlorophenoxy)methyl)-1H-benzo[d]imidazole;2-(2,4-Dichlorophenoxymethyl)benzimidazole;BENZIMIDAZOLE, 2-((2,4-DICHLOROPHENOXY)METHYL)-;5-23-11-00326 (Beilstein Handbook Reference);Cambridge id 5185905;Oprea1_238790;Oprea1_386367;2-(2,4-dichlorophenoxymethyl)-1H-1,3-benzodiazole;IFLab1_003531;SCHEMBL2242937;DTXSID70185459;HMS1422A11;MFCD00487697;STK091302;AKOS000273088;IDI1_009638;LS-32831;EN300-02934;2-(2,4-Dichlorophenoxymethyl)-1H-benzimidazole;SR-01000390451;1H-Benzoimidazole, 2-(2,4-dichlorophenoxymethyl)-;2-(2,4-dichlorophenoxymethyl)-1h-benzo[d]imidazole;SR-01000390451-1;Z55692896;2-[(2,4-dichlorophenoxy)methyl]-1H-1,3-benzodiazole;F0783-0065;1H-1,3-benzimidazol-2-ylmethyl (2,4-dichlorophenyl) ether

Chemical Property of 2-[(2,4-dichlorophenoxy)methyl]-1H-benzimidazole

Chemical Property:

• Vapor Pressure: 2.17E-10mmHg at 25°C
• Melting Point: 175 °C
• Boiling Point: 519.9°Cat760mmHg
• PKA: 11.29±0.10(Predicted)
• Flash Point: 268.2°C
• PSA: 37.91000
• Density: 1.439g/cm³
• LogP: 4.44870
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 292.0170183
• Heavy Atom Count: 19
• Complexity: 305

Purity/Quality:

NLT 98% ^*data from raw suppliers

2-(2,4-DICHLORO-PHENOXYMETHYL)-1H-BENZOIMIDAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)NC(=N2)COC3=C(C=C(C=C3)Cl)Cl

Technology Process of 2-[(2,4-dichlorophenoxy)methyl]-1H-benzimidazole

There total 3 articles about 2-[(2,4-dichlorophenoxy)methyl]-1H-benzimidazole 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: 86.0%

2,4-Dichlorophenoxyacetic acid (94-75-7,89300-30-1) + 1,2-diamino-benzene (95-54-5) → 2-(2,4-dichloro-phenoxymethyl)-1H-benzoimidazole (3156-21-6)

Guidance literature:

for 0.25h; microwave irradiation;

DOI:10.1002/jccs.200500078

Reference yield: 85.0%

2-chloromethyl-1H-benzimidazole (4857-04-9) + 2,4-dichlorophenol (120-83-2,40477-79-0) → 2-(2,4-dichloro-phenoxymethyl)-1H-benzoimidazole (3156-21-6)

Guidance literature:

2,4-dichlorophenol; With potassium carbonate; In water; N,N-dimethyl-formamide; for 1h;

2-chloromethyl-1H-benzimidazole; With potassium iodide; In water; N,N-dimethyl-formamide; for 6h; Reflux;

Reference yield:

→ 2-(2,4-dichloro-phenoxymethyl)-1H-benzoimidazole (3156-21-6)

Guidance literature:

upstream raw materials:

2,4-Dichlorophenoxyacetic acid

1,2-diamino-benzene

2-chloromethyl-1H-benzimidazole

2,4-dichlorophenol

Refernces

• 1、 Ibrahim, Nasser A.. "Discovery of some benzimidazole derivatives as a new agrochemical fungicides". experimental part. p. 823 - 836. Retrieved 2012/07/27.