Daspei

Base Information

• Chemical Name: Daspei
• CAS No.: 3785-01-1
• Molecular Formula: C17H21 N2 . I
• Molecular Weight: 380.272
• European Community (EC) Number: 223-248-3
• Wikidata: Q27117344
• Metabolomics Workbench ID: 55744
• Mol file: 3785-01-1.mol

Synonyms:2-(4-dimethylaminostyryl)-1-ethylpyridinium;2-(dimethylaminostyryl)-1-ethylpyridinium;2-(dimethylaminostyryl)-1-ethylpyridinium iodide;DASPEI

Chemical Property of Daspei

Chemical Property:

• Melting Point: 267 °C (dec.)(lit.)
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 7.12000
• Density: g/cm³
• LogP: 0.23440
• Storage Temp.: 2-8°C
• Sensitive.: Light Sensitive
• Solubility.: methanol: soluble
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 380.07495
• Heavy Atom Count: 20
• Complexity: 277

Purity/Quality:

97% ^*data from raw suppliers

2-(4-(Dimethylamino)styryl)-1-ethylpyridin-1-iumiodide 95+% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC[N+]1=CC=CC=C1C=CC2=CC=C(C=C2)N(C)C.[I-]
• Isomeric SMILES: CC[N+]1=CC=CC=C1/C=C/C2=CC=C(C=C2)N(C)C.[I-]

Technology Process of Daspei

There total 6 articles about Daspei 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:

1-ethyl-2-methylpyridinium iodide (19760-15-7) + 4-dimethylamino-benzaldehyde (100-10-7) → 2-(4'-N,N-dimethylamino styryl)-1-ethylpyridinium iodide (3785-01-1)

Guidance literature:

With piperidine; ethanol;

DOI:10.1021/ja01134a063

Reference yield:

4-dimethylamino-benzaldehyde (100-10-7) → 2-(4'-N,N-dimethylamino styryl)-1-ethylpyridinium iodide (3785-01-1)

Guidance literature:

With piperidine; ethanol;

Reference yield:

C28H20O16S4(4-)*C17H21N2(1+) → 2-(4'-N,N-dimethylamino styryl)-1-ethylpyridinium iodide (3785-01-1) + tetrasodium 25,26,27,28-tetrahydroxycalix[4]arene-5,11,17,23-tetrasulfonate (110242-20-1,114245-69-1,116888-13-2)

Guidance literature:

In acetate buffer; at 20 ℃; pH=4.60; Equilibrium constant;

DOI:10.1246/bcsj.70.2131

upstream raw materials:

1-ethyl-2-methylpyridinium iodide

4-dimethylamino-benzaldehyde