Canavalmine

Base Information

• Chemical Name: Canavalmine
• CAS No.: 70862-15-6
• Molecular Formula: C₁₁H₂₈N₄
• Molecular Weight: 216.37
• DSSTox Substance ID: DTXSID60221097
• Nikkaji Number: J556.892G
• Wikidata: Q83098704
• Metabolomics Workbench ID: 48524
• Mol file: 70862-15-6.mol

Synonyms:1,13-diamino-5,9-diazatridecane;canavalmine

Chemical Property of Canavalmine

Chemical Property:

• Boiling Point: 341.1±10.0 °C(Predicted)
• PKA: 10.79±0.10(Predicted)
• Flash Point: 187.8oC
• PSA: 76.10000
• Density: 0.920±0.06 g/cm3(Predicted)
• LogP: 2.21590
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 12
• Exact Mass: 216.23139691
• Heavy Atom Count: 15
• Complexity: 96.8

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCNCCCNCCCCN)CN

Technology Process of Canavalmine

There total 2 articles about Canavalmine 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: 72.6%

1.3-chlorobromopropane (109-70-6) + 1,4-diaminobutane (110-60-1) → 5,9-diaza-1,13-tridecanediamine (70862-15-6)

Guidance literature:

1.) 30 deg C to 60 deg C, 30 min; 2.) r.t., 3 h;

Reference yield:

→ 5,9-diaza-1,13-tridecanediamine (70862-15-6)

Guidance literature:

Entspr. Diamin, ω-Bromalkylphthalimid;

Reference yield:

5,9-diaza-1,13-tridecanediamine (70862-15-6) → 3-Dodecyl-1,5,10,14-tetrakis-(toluene-4-sulfonyl)-1,5,10,14-tetraaza-cyclooctadecane (83459-15-8)

Guidance literature:

Multi-step reaction with 2 steps

2: NaH / dimethylformamide / 4 h / 100 °C

With sodium hydride; In N,N-dimethyl-formamide;

DOI:10.1016/S0040-4039(00)87454-7

upstream raw materials:

1.3-chlorobromopropane

1,4-diaminobutane

Downstream raw materials:

N,N'-bis<4-(tosylamino)butyl>-N,N'-ditosyl-1,3-propanediamine

3-Dodecyl-1,5,10,14-tetrakis-(toluene-4-sulfonyl)-1,5,10,14-tetraaza-cyclooctadecane