3,5-Dichloro-benzamidine

Base Information

• Chemical Name: 3,5-Dichloro-benzamidine
• CAS No.: 188257-67-2
• Molecular Formula: C7H6 Cl2 N2
• Molecular Weight: 189.044
• Hs Code.: 2925290090
• DSSTox Substance ID: DTXSID20372473
• Wikidata: Q82160200
• Mol file: 188257-67-2.mol

Synonyms:188257-67-2;3,5-DICHLORO-BENZAMIDINE;3,5-Dichlorobenzimidamide;3,5-dichlorobenzenecarboximidamide;3,5-dichlorobenzamidine;Benzenecarboximidamide, 3,5-dichloro-;Maybridge3_006888;3,5-dichlorophenyl-formamidine;SCHEMBL10168066;LINOLELAIDICACIDMETHYLESTER;DTXSID20372473;3,5-dichlorobenzene-1-carboximidamide;AKOS009159426;CCG-255161;SB34669;IDI1_018275;CS-0449056;EN300-1985568

Chemical Property of 3,5-Dichloro-benzamidine

Chemical Property:

• PSA: 49.87000
• LogP: 3.07750
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 187.9908036
• Heavy Atom Count: 11
• Complexity: 151

Purity/Quality:

97% ^*data from raw suppliers

3,5-Dichloro-Benzamidine 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1Cl)Cl)C(=N)N

Technology Process of 3,5-Dichloro-benzamidine

There total 1 articles about 3,5-Dichloro-benzamidine 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:

3,5-dichlorobenzonitrile (6575-00-4) → 3,5-dichlorobenzamidine hydrochloride (188257-67-2)

Guidance literature:

With hydrogenchloride; lithium hexamethyldisilazane; Yield given. Multistep reaction; 1.) Et₂O, RT, 3 h, 2.) Et₂O;

DOI:10.1002/(SICI)1099-1344(199702)39:2<123::AID-JLCR959>3.0.CO;2-W

Reference yield: 95.0%

2,3-Dichloro-1,4-naphthoquinone (117-80-6) + 3,5-dichlorobenzamidine hydrochloride (188257-67-2) → C17H8Cl2N2O2

Guidance literature:

3,5-dichlorobenzamidine hydrochloride; With sodium dodecyl-sulfate; potassium carbonate; In water; for 0.0833333h;

2,3-Dichloro-1,4-naphthoquinone; In water; at 70 - 80 ℃; for 8h; regioselective reaction;

DOI:10.1016/j.tetlet.2014.09.103

Reference yield: 68.0%

1,3-dihydroxyacetone dimer (62147-49-3) + 3,5-dichlorobenzamidine hydrochloride (188257-67-2) → 2-(3,5-dichlorophenyl)-4-hydroxymethylimidazole (188257-68-3)

Guidance literature:

With ammonium hydroxide; ammonium chloride; In tetrahydrofuran; for 0.75h; Heating;

DOI:10.1002/(SICI)1099-1344(199702)39:2<123::AID-JLCR959>3.0.CO;2-W

upstream raw materials:

3,5-dichlorobenzonitrile

Downstream raw materials:

2-(3,5-dichlorophenyl)-4-hydroxymethylimidazole

5-Bromo-2-{4-[2-(3,5-dichloro-phenyl)-3H-imidazol-4-ylmethyl]-piperazin-1-yl}-pyrimidine

5-Bromo-2-{4-[2-(3,5-dichloro-phenyl)-5-iodo-3H-imidazol-4-ylmethyl]-piperazin-1-yl}-pyrimidine

C₂₃H₁₅Cl₂N₃O₂