Aminobutylhomospermidine

Base Information

• Chemical Name: Aminobutylhomospermidine
• CAS No.: 45185-87-3
• Molecular Formula: C12H30 N4
• Molecular Weight: 0
• Hs Code.: 2921290000
• DSSTox Substance ID: DTXSID60196413
• Nikkaji Number: J248.146D
• Wikidata: Q83069474
• ChEMBL ID: CHEMBL88138
• Mol file: 45185-87-3.mol

Synonyms:ABhomospd;aminobutylhomospermidine

Chemical Property of Aminobutylhomospermidine

Chemical Property:

• Boiling Point: 350.2°Cat760mmHg
• Flash Point: 194.6°C
• PSA: 76.10000
• Density: 0.915g/cm³
• LogP: 2.60600
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 13
• Exact Mass: 230.24704697
• Heavy Atom Count: 16
• Complexity: 106

Purity/Quality:

SYM-HOMOSPERMIDINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCNCCCCNCCCCN)CN

Technology Process of Aminobutylhomospermidine

There total 5 articles about Aminobutylhomospermidine 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:

N5,N10-bis(mesitylenesulfonyl)homospermine → N,N'-bis-(4-aminobutyl)-1,4-diaminobutane (45185-87-3)

Guidance literature:

With hydrogen bromide; phenol; In dichloromethane; Ambient temperature;

DOI:10.1021/jm960545x

Reference yield:

N,N'-bis(4-amino-1-oxobutyl)-1,4-butanediamine (343247-45-0) → N,N'-bis-(4-aminobutyl)-1,4-diaminobutane (45185-87-3)

Guidance literature:

With dimethylsulfide borane complex; In tetrahydrofuran;

DOI:10.1021/jm0003283

Reference yield:

N,N'-bis(4-tert-butyloxycarbonylamino-1-oxobutyl)-1,4-butanediamine (343247-44-9) → N,N'-bis-(4-aminobutyl)-1,4-diaminobutane (45185-87-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 100 percent / HCl(g) / methanol / 20 °C

2: BH₃-Me₂S / tetrahydrofuran

With hydrogenchloride; dimethylsulfide borane complex; In tetrahydrofuran; methanol;

DOI:10.1021/jm0003283

upstream raw materials:

N,N'-bis(4-amino-1-oxobutyl)-1,4-butanediamine

N,N'-bis(4-tert-butyloxycarbonylamino-1-oxobutyl)-1,4-butanediamine

N,N'-bis(4-phthalimidobutyl)-N,N'-bis(mesitylenesulfonyl)-1,4-butanediamine

Downstream raw materials:

1,6,11,16-Tetrakis-(toluene-4-sulfonyl)-1,6,11,16-tetraaza-cycloicosane

C₄₈H₆₂N₄O₁₂

N¹,N⁵,N¹⁰,N¹⁴-tetra(p-toluenesulfonyl)-1,14-diamino-5,10-diazatetradecane

Refernces

• 1、 Bergeron, Raymond J.,Weimar, William R.,Wu, Qianhong,Feng, Yang,McManis, James S.. "Polyamine analogue regulation of NMDA MK-801 binding: A structure-activity study". . p. 5257 - 5266. Retrieved 2007/10/03.