Solapalmitine

Base Information

• Chemical Name: Solapalmitine
• CAS No.: 17232-85-8
• Molecular Formula: C28H59N3O
• Molecular Weight: 453.7876
• Hs Code.: 2924199090
• NSC Number: 123124
• DSSTox Substance ID: DTXSID30298438
• Nikkaji Number: J14.324C
• Wikidata: Q82040250
• ChEMBL ID: CHEMBL460314
• Mol file: 17232-85-8.mol

Synonyms:Solapalmitine;SOLAPALMATINE;17232-85-8;N,N-Bis[4-(dimethylamino)butyl]hexadecanamide;Hexadecanamide, N,N-bis[4-(dimethylamino)butyl]-;4,4'-Bis(dimethylamino)-N-palmitoyldibutylamine;CHEMBL460314;DTXSID30298438;VEHJXNZJUVYBQN-UHFFFAOYSA-N;NSC123124;NSC-123124;N,N-Bis(dimethylaminobutyl)palmitoyl amide;N,N-Bis(4-dimethylaminobutyl)palmitoyl amide;Hexadecanamide,N-bis[4-(dimethylamino)butyl]-;N,N-Bis[4-(dimethylamino)butyl]hexadecanamide #

Chemical Property of Solapalmitine

Chemical Property:

• Vapor Pressure: 6.47E-12mmHg at 25°C
• Boiling Point: 544.5°Cat760mmHg
• Flash Point: 176.6°C
• PSA: 26.79000
• Density: 0.89g/cm³
• LogP: 6.97990
• XLogP3: 8.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 24
• Exact Mass: 453.46581351
• Heavy Atom Count: 32
• Complexity: 382

Purity/Quality:

99% ^*data from raw suppliers

SOLAPALMITINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)N(CCCCN(C)C)CCCCN(C)C
• Description: The second oily alkaloid present in Solanum tripartitum Dunal, this base also has tumour inhibitory properties. The structure is hexadecanoylsolamine.

Technology Process of Solapalmitine

There total 3 articles about Solapalmitine 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:

solamine (17232-87-0) + n-hexadecanoyl chloride (112-67-4) → Solapalmitin (17232-85-8)

Guidance literature:

With diethylamine; In diethyl ether;

DOI:10.1021/jm00271a017

Reference yield:

4-dimethylaminobutyronitrile (13989-82-7) → Solapalmitin (17232-85-8)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂ / Rh-Al₂O₃

2: Me₃N

With hydrogen; trimethylamine; rhodium on alumina;

DOI:10.1021/jo01264a031

Reference yield:

→ Solapalmitin (17232-85-8)

Guidance literature:

Solanin, Palmitoylchlorid;

DOI:10.1021/ja00998a048

upstream raw materials:

solamine

n-hexadecanoyl chloride

4-dimethylaminobutyronitrile