Guanidine, N-cyano-N',N''-bis(methoxymethyl)-

Base Information

• Chemical Name: Guanidine, N-cyano-N',N''-bis(methoxymethyl)-
• CAS No.: 68039-32-7
• Molecular Formula: C6H12N4O2
• Molecular Weight: 172.187
• NSC Number: 643469
• DSSTox Substance ID: DTXSID3071012
• ChEMBL ID: CHEMBL2003277
• Mol file: 68039-32-7.mol

Synonyms:NSC643469;Guanidine, N-cyano-N',N''-bis(methoxymethyl)-;EINECS 268-250-5;Dicyandiamide, N,N'-di(methoxymethyl)-;CHEMBL2003277;DTXSID3071012;NSC-643469;2-cyano-1,3-bis(methoxymethyl)guanidine;NCI60_014706;N''-Cyano-N,N'-bis(methoxymethyl)guanidine

Chemical Property of Guanidine, N-cyano-N',N''-bis(methoxymethyl)-

Chemical Property:

• Boiling Point: 216.9°Cat760mmHg
• Flash Point: 85°C
• PSA: 78.67000
• Density: 1.13g/cm³
• LogP: -0.00772
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 172.09602564
• Heavy Atom Count: 12
• Complexity: 183

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COCNC(=NCOC)NC#N
• Isomeric SMILES: COCN/C(=N/COC)/NC#N

Technology Process of Guanidine, N-cyano-N',N''-bis(methoxymethyl)-

There total 2 articles about Guanidine, N-cyano-N',N''-bis(methoxymethyl)- 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:

methanol (67-56-1) + 1,3-bis(hydroxymethyl)-2-cyanoguanidine → 1,3-bis(methoxymethyl)-2-cyanoguanidine (68039-32-7)

Guidance literature:

With hydrogenchloride; at 14 - 15 ℃; for 0.25h;

DOI:10.1246/bcsj.56.3319

Reference yield:

N-cyano-N',N''-bis-hydroxymethyl-guanidine (40074-04-2) → N-cyano-N',N''-bis-methoxymethyl-guanidine (68039-32-7)

Guidance literature:

With hydrogenchloride; methanol;

Reference yield:

methanol (67-56-1) + formaldehyd (50-00-0,30525-89-4,61233-19-0) + 1,3-bis(methoxymethyl)-2-cyanoguanidine (68039-32-7) → 3,5-bis(methoxymethyl)-4-methoxymethyl(carbamoylimino)perhydro-1,3,5-oxadiazine (89049-30-9)

Guidance literature:

With hydrogenchloride; sodium hydroxide; Multistep reaction; 1.) 80 deg C, 20 min, 2.) 10-12 deg C, 15 min;

DOI:10.1246/bcsj.56.3319

upstream raw materials:

N-cyano-N',N''-bis-hydroxymethyl-guanidine

methanol

Downstream raw materials:

3,5-bis(methoxymethyl)-4-methoxymethyl(carbamoylimino)perhydro-1,3,5-oxadiazine