Kukoamine B

Base Information

• Chemical Name: Kukoamine B
• CAS No.: 164991-67-7
• Molecular Formula: C₂₈H₄₂N₄O₆
• Molecular Weight: 530.665
• UNII: XZE94LC57W
• Nikkaji Number: J649.140E
• Wikidata: Q27155167
• Mol file: 164991-67-7.mol

Synonyms:kukoamine B

Chemical Property of Kukoamine B

Chemical Property:

• Boiling Point: 844.3±65.0 °C(Predicted)
• PKA: 9.78±0.10(Predicted)
• PSA: 168.38000
• Density: 1.232±0.06 g/cm3 (20 oC 760 Torr)
• LogP: 3.61000
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 18
• Exact Mass: 530.31043507
• Heavy Atom Count: 38
• Complexity: 669

Purity/Quality:

≥98% ^*data from raw suppliers

Kukoamine B ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C=C1CCC(=O)NCCCNCCCCN(CCCN)C(=O)CCC2=CC(=C(C=C2)O)O)O)O
• Uses: Kukoamine B is an amide alkaloiad used in the protection against NMDA-induced neurotoxicity and potential harmful mechanisms. In addition it is seen to inhibit the inflammatory response in the livers of septic mice.

Technology Process of Kukoamine B

There total 6 articles about Kukoamine B 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:

(2-{Benzyl-[4-(trityl-amino)-butyl]-carbamoyl}-ethyl)-carbamic acid 9H-fluoren-9-ylmethyl ester (168699-21-6) → N1,N9-bis(dihydrocaffeoyl)spermine (164991-67-7)

Guidance literature:

Multi-step reaction with 4 steps

1: 20percent TFA / CH₂Cl₂

2: DIEA

3: 1.) 20percent piperidine, 2.) LAH / 1.) CH₂Cl₂

4: 1.) Et₃N, 2.) H₂ / 2.) cat. Pd-C, MeOH

With piperidine; lithium aluminium tetrahydride; hydrogen; triethylamine; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; In dichloromethane;

DOI:10.1016/S0040-4039(98)00940-X

Reference yield:

3,4-dibenzyloxybenzaldehyde (5447-02-9) → N1,N9-bis(dihydrocaffeoyl)spermine (164991-67-7)

Guidance literature:

Multi-step reaction with 3 steps

2: 1.) saponification, 2.) thionyl chloride / 2.) benzene, reflux

3: 1.) Et₃N, 2.) H₂ / 2.) cat. Pd-C, MeOH

With thionyl chloride; hydrogen; triethylamine;

DOI:10.1016/S0040-4039(98)00940-X

Reference yield:

methyl (E)-3-(3,4-bis(benzyloxy)phenyl)acrylate (71038-25-0) → N1,N9-bis(dihydrocaffeoyl)spermine (164991-67-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) saponification, 2.) thionyl chloride / 2.) benzene, reflux

2: 1.) Et₃N, 2.) H₂ / 2.) cat. Pd-C, MeOH

With thionyl chloride; hydrogen; triethylamine;

DOI:10.1016/S0040-4039(98)00940-X

upstream raw materials:

3,4-dibenzyloxycinnamoyl chloride

N-(3-Amino-propyl)-N-benzyl-N'-[3-(trityl-amino)-propyl]-butane-1,4-diamine

3,4-dibenzyloxybenzaldehyde

methyl (E)-3-(3,4-bis(benzyloxy)phenyl)acrylate

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