Benzenamine, 3,5-dichloro-4-(1H-pyrrol-1-yl)-

Base Information

• Chemical Name: Benzenamine, 3,5-dichloro-4-(1H-pyrrol-1-yl)-
• CAS No.: 93516-63-3
• Molecular Formula: C10H8Cl2N2
• Molecular Weight: 227.093
• DSSTox Substance ID: DTXSID501267414

Synonyms:93516-63-3;Benzenamine, 3,5-dichloro-4-(1H-pyrrol-1-yl)-;3,5-dichloro-4-(1H-pyrrol-1-yl)aniline;DTXSID501267414;AKOS037505301;3,5-Dichloro-4-(1H-pyrrol-1-yl)benzenamine

Chemical Property of Benzenamine, 3,5-dichloro-4-(1H-pyrrol-1-yl)-

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 226.0064537
• Heavy Atom Count: 14
• Complexity: 183

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CN(C=C1)C2=C(C=C(C=C2Cl)N)Cl

Technology Process of Benzenamine, 3,5-dichloro-4-(1H-pyrrol-1-yl)-

There total 2 articles about Benzenamine, 3,5-dichloro-4-(1H-pyrrol-1-yl)- 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: 93.0%

N-(2,6-dichloro-4-nitrophenyl)pyrrole (93516-62-2) → N-(2,6-dichloro-4-aminophenyl)pyrrole (93516-63-3)

Guidance literature:

With tin(ll) chloride; In ethyl acetate; for 3.5h; Heating;

DOI:10.1021/jm970399a

Reference yield:

4-nitro-2,6-dichloroaniline (99-30-9) → N-(2,6-dichloro-4-aminophenyl)pyrrole (93516-63-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 82 percent / gl. AcOH / Heating

2: 93 percent / SnCl₂*H₂O / ethyl acetate / 3.5 h / Heating

With acetic acid; tin(ll) chloride; In ethyl acetate;

DOI:10.1021/jm970399a

Reference yield: 88.0%

N-(2,6-dichloro-4-aminophenyl)pyrrole (93516-63-3) + 2,4-bis(trimethylacetamido)-5-bromomethyl-6-bromothieno[2,3-d]pyrimidine (300807-55-0) → N-[6-Bromo-5-[(3,5-dichloro-4-pyrrol-1-yl-phenylamino)-methyl]-2-(2,2-dimethyl-propionylamino)-thieno[2,3-d]pyrimidin-4-yl]-2,2-dimethyl-propionamide (1026159-21-6)

Guidance literature:

With sodium hydrogencarbonate; In N,N-dimethyl-formamide; at 55 - 60 ℃;

DOI:10.1021/jm970399a

upstream raw materials:

N-(2,6-dichloro-4-nitrophenyl)pyrrole

4-nitro-2,6-dichloroaniline

Downstream raw materials:

N-[6-Bromo-5-[(3,5-dichloro-4-pyrrol-1-yl-phenylamino)-methyl]-2-(2,2-dimethyl-propionylamino)-thieno[2,3-d]pyrimidin-4-yl]-2,2-dimethyl-propionamide

6-Bromo-5-[(3,5-dichloro-4-pyrrol-1-yl-phenylamino)-methyl]-thieno[2,3-d]pyrimidine-2,4-diamine

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