Hexamethylguanidinium chloride

Base Information

• Chemical Name: Hexamethylguanidinium chloride
• CAS No.: 30388-20-6
• Molecular Formula: C7H18 N3 . Cl
• Molecular Weight: 179.693
• Hs Code.: 2923900090
• DSSTox Substance ID: DTXSID20374715
• Mol file: 30388-20-6.mol

Synonyms:Hexamethylguanidinium chloride;30388-20-6;N-(bis(dimethylamino)methylene)-N-methylmethanaminium chloride;starbld0016626;SCHEMBL1184026;DTXSID20374715;MFCD00061386;AKOS040768269;FT-0706017;bis(dimethylamino)methylene-dimethyl-ammonium;chloride;bis(dimethylamino)methylidene-dimethylazanium;Methanaminium,N-[bis(dimethylamino)methylene]-N-methyl-,chloride(1:1)

Chemical Property of Hexamethylguanidinium chloride

Chemical Property:

• Melting Point: 286-287 °C
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 9.49000
• Density: g/cm³
• LogP: -3.25830
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 179.1189253
• Heavy Atom Count: 11
• Complexity: 104

Purity/Quality:

99% ^*data from raw suppliers

Hexamethylguanidiniumchloride 95% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 45-36/37/39-26

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Hexamethylguanidinium chloride

There total 8 articles about Hexamethylguanidinium chloride 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: 52.0%

N,N,N',N',N'',N''-Hexamethylguanidiniumcyanid (68897-45-0) + benzoyl chloride (98-88-4) → benzoyl cyanide (613-90-1) + N,N,N',N',N'',N''-hexamethylguanidinium chloride (30388-20-6)

Guidance literature:

In acetonitrile; at 20 ℃; for 2h;

Reference yield: 23.0%

Ethoxy-N,N,N',N',N,N-hexamethylmethantriamin (58393-00-3) + para-chloroacetophenone (99-91-2) → N,N,N',N',N'',N''-hexamethylguanidinium chloride (30388-20-6) + <2,2-bis(dimethylamino)vinyl>keton (85581-91-5) + <2,2-Bis(dimethylamino)vinyl>keton (85581-92-6)

Guidance literature:

In benzene; Title compound not separated from byproducts; Heating;

Reference yield: 20.0%

N,N,N',N',N'',N''-Hexamethylguanidiniumcyanid (68897-45-0) + naphthalene-1-carbonic acid chloride (879-18-5) → 1-naphthoyl cyanide (14271-86-4) + N,N,N',N',N'',N''-hexamethylguanidinium chloride (30388-20-6)

Guidance literature:

In acetonitrile; at 20 ℃; for 2h;

upstream raw materials:

Ethoxy-N,N,N',N',N,N-hexamethylmethantriamin

para-chloroacetophenone

N,N,N',N',N'',N''-Hexamethylguanidiniumcyanid

benzoyl chloride

Downstream raw materials:

<2,2-bis(dimethylamino)vinyl>keton

diethyl ether

chloroethane

(1R)-1-[(1S,3S,5R,6R,8R)-3,8-bis(4-methoxyphenyl)-2,4,7,9-tetraoxabicyclo[4.4.0]-decan-5-yl]-1-methoxy-4,4,4-tris(dimethylamino)but-2-yne

Refernces

• 1、 Jockisch, Alexander,Schier, Annette,Schmidbaur, Hubert. "Tetra(amino)methanes: Implications of their structure and reactivity pattern for hypothetical carbon nitride frameworks". . p. 1739 - 1744. Retrieved 2007/10/03.
• 2、 Kantlehner, Willi,Mergen, Walter W.,Haug, Erwin. "Orthoamides, XXXIX. - Preparation of Ketene Aminals from CH-acidic Compounds and Ethoxy-N,N,N',N',N'',N''-hexamethylmethanetriamine". . p. 290 - 298. Retrieved 2007/10/02.