1-Ethyl-4-methylquinolinium iodide

Base Information

• Chemical Name: 1-Ethyl-4-methylquinolinium iodide
• CAS No.: 605-59-4
• Molecular Formula: C12H14IN
• Molecular Weight: 299.154
• European Community (EC) Number: 622-952-1
• NSC Number: 204954
• UNII: C7W6WWW5FT
• DSSTox Substance ID: DTXSID30883464
• Mol file: 605-59-4.mol

Synonyms:1-Ethyl-4-methylquinolinium iodide;605-59-4;1-ethyl-4-methylquinolin-1-ium iodide;1-Ethyllepidinium iodide;Lepidine ethiodide;Lepidinium ethiodide;4-Methylquinoline ethiodide;Quinolinium, 1-ethyl-4-methyl-, iodide (1:1);1-ethyl-4-methylquinolin-1-ium;iodide;Quinolinium, 1-ethyl-4-methyl-, iodide;Lepidinium, 1-ethyl-, iodide;NSC 204954;NSC-204954;MFCD00192160;n-ethyllepidinium iodide;C7W6WWW5FT;C(C)n1ccc(C)c2ccccc12;LCZC1630;SCHEMBL1343656;C12H14N.I;DTXSID30883464;1-ethyl-4-methyl-quinoliniuiodide;NSC204954;1-ethyl-4-methyl-quino-linium iodide;1-ethyl-4-methylquinolin-1-iumiodide;AKOS003602190;SB70846;1-Ethyl-4-methylquinolinium iodide, 97%;CS-0358166;V10009;SR-01000389305;SR-01000389305-1

Chemical Property of 1-Ethyl-4-methylquinolinium iodide

Chemical Property:

• Melting Point: 143-146 °C(lit.)
• PSA: 3.88000
• LogP: -0.54040
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 299.01710
• Heavy Atom Count: 14
• Complexity: 167

Purity/Quality:

98%min ^*data from raw suppliers

1-Ethyl-4-methylquinolin-1-iumiodide 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC[N+]1=CC=C(C2=CC=CC=C21)C.[I-]

Technology Process of 1-Ethyl-4-methylquinolinium iodide

There total 4 articles about 1-Ethyl-4-methylquinolinium iodide 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: 96.0%

C6H4NCH2CHCCH2 (491-35-0) + ethyl iodide (75-03-6) → N-ethyl-4-methylquinolinium iodide (605-59-4)

Guidance literature:

In acetonitrile; for 6h; Reflux;

Reference yield:

aniline (62-53-3) → N-ethyl-4-methylquinolinium iodide (605-59-4)

Guidance literature:

Multi-step reaction with 3 steps

1.1: neat (no solvent) / 180 °C / Inert atmosphere

1.2: 3 h / 95 °C / Acidic conditions; Inert atmosphere

2.1: trichlorophosphate / Reflux; Inert atmosphere

2.2: Inert atmosphere

3.1: methanol / 80 °C / Sealed tube; Inert atmosphere

With trichlorophosphate; In methanol;

DOI:10.1016/j.bmcl.2019.126725

Reference yield:

4-methyl-1,2-dihydroquinolin-2-one (607-66-9) → N-ethyl-4-methylquinolinium iodide (605-59-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: trichlorophosphate / Reflux; Inert atmosphere

1.2: Inert atmosphere

2.1: methanol / 80 °C / Sealed tube; Inert atmosphere

With trichlorophosphate; In methanol;

DOI:10.1016/j.bmcl.2019.126725

upstream raw materials:

C₆H₄NCH₂CHCCH₂

ethyl iodide

aniline

4-methyl-1,2-dihydroquinolin-2-one

Downstream raw materials:

2-[4-(N-acetyl-anilino)-buta-1,3-dienyl]-1-ethyl-quinolinium; iodide

1,1'-Diethyl-4,4'-cyanine iodide

cryptocyanine

1,1'-diethyl-4,4'-dicarbocyanine iodide

Refernces

• 1、 Ouyang, Juan,Sun, Lihe,Wu, Shuizhu,Zeng, Cheng,Zeng, Fang,Zeng, Zhuo. "Nanoaggregate Probe for Breast Cancer Metastasis through Multispectral Optoacoustic Tomography and Aggregation-Induced NIR-I/II Fluorescence Imaging". . p. 10111 - 10121. Retrieved 2020.
• 2、 Geng, Chen,Hao, Xinya,Lin, Weiying,Song, Wenhui,Zhan, Jingting. "Distinguishing normal and inflammatory models by viscosity changes with sensitively mitochondrial-trackable fluorescent probe". supporting information. . Retrieved 2021/08/19.