Agn-PC-00C6M9

Base Information

• Chemical Name: Agn-PC-00C6M9
• CAS No.: 2009-81-6
• Molecular Formula: C10H21N3.2ClO4
• Molecular Weight: 382.198
• European Community (EC) Number: 965-574-5
• DSSTox Substance ID: DTXSID40469071
• Mol file: 2009-81-6.mol

Synonyms:2009-81-6;AGN-PC-00C6M9;[3-(dimethylamino)-2-(dimethylazaniumylidenemethyl)prop-2-enylidene]-dimethylazanium;diperchlorate;SCHEMBL10416525;DTXSID40469071;2-dimethylaminomethylene-1,3-bis(dimethylimonio)propane diperchlorate salt;AKOS032963730;N,N'-[2-[(DIMETHYLAMINO)METHYLENE]-1,3-PROPANEDIYLIDENE]BIS[N-METHYL-METHANAMINIUM DIPERCHLORATE

Chemical Property of Agn-PC-00C6M9

Chemical Property:

• PSA: 157.80000
• LogP: 0.54630
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 381.0705700
• Heavy Atom Count: 23
• Complexity: 292

Purity/Quality:

99% ^*data from raw suppliers

2-dimethylaminomethylene-1,3-bis(dimethylimonio)propanediperchlorate >96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C=C(C=[N+](C)C)C=[N+](C)C.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

Technology Process of Agn-PC-00C6M9

There total 11 articles about Agn-PC-00C6M9 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: 91.0%

malonic acid (141-82-2) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 2-dimethylaminomethylene-1,3-bis(dimethylimonio)propane diperchlorate (2009-81-6)

Guidance literature:

malonic acid; N,N-dimethyl-formamide; With trichlorophosphate; at 90 ℃; for 6h;

With sodium perchlorate;

DOI:10.1016/j.tetlet.2006.02.101

Reference yield: 59.0%

phosphonoacetic acid (4408-78-0) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 2-dimethylaminomethylene-1,3-bis(dimethylimonio)propane diperchlorate (2009-81-6)

Guidance literature:

With trichlorophosphate; at 110 - 120 ℃; for 2h;

Reference yield: 51.0%

bromoacetic acid (79-08-3) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 2-dimethylaminomethylene-1,3-bis(dimethylimonio)propane diperchlorate (2009-81-6)

Guidance literature:

bromoacetic acid; N,N-dimethyl-formamide; With trichlorophosphate; at 90 ℃; Cooling with ice;

With perchloric acid; In ethanol; water; at -30 ℃; for 3h;

DOI:10.1002/anie.201803647

upstream raw materials:

bromoacetic acid

N,N-dimethyl-formamide

malonic acid

1,3-bis-dimethylaminotrimethinium perchlorate

Downstream raw materials:

1-Dimethylamino-2.2-bis-<2.3-diphenyl-indenyliden-(1)-methyl>-ethylen

1-Dimethylamino-2.2-bis-<1.2.3.4-tetraphenyl-cyclopentadienyliden-(5)-methyl>-ethylen

N-Benzyl-2-carbethoxy-4-formylpyrrole

2-methyl-5-pyrimidinecarbaldehyde