2-(4-Chlorophenoxy)ethan-1-aminium

Base Information

• Chemical Name: 2-(4-Chlorophenoxy)ethan-1-aminium
• CAS No.: 28769-06-4
• Molecular Formula: C8H10 Cl N O
• Molecular Weight: 171.626
• Hs Code.: 2922299090
• DSSTox Substance ID: DTXSID30951415
• Wikidata: Q82929733
• Mol file: 28769-06-4.mol

Synonyms:DTXSID30951415;2-(4-Chlorophenoxy)ethan-1-aminium

Chemical Property of 2-(4-Chlorophenoxy)ethan-1-aminium

Chemical Property:

• Vapor Pressure: 0.0075mmHg at 25°C
• Boiling Point: 268.9°Cat760mmHg
• PKA: 8.33±0.10(Predicted)
• Flash Point: 116.4°C
• PSA: 35.25000
• Density: 1.178g/cm³
• LogP: 3.17980
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 172.0529167
• Heavy Atom Count: 11
• Complexity: 102

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-(4-Chlorophenoxy)ethylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1OCC[NH3+])Cl

Technology Process of 2-(4-Chlorophenoxy)ethan-1-aminium

There total 6 articles about 2-(4-Chlorophenoxy)ethan-1-aminium 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: 82.0%

tert-butyl (2-(4-chlorophenoxy)ethyl)carbamate → 2-(4-chlorophenoxy)ethan-1-amine (28769-06-4)

Guidance literature:

With trifluoroacetic acid; at 23 ℃; for 18.5h;

DOI:10.1021/acs.jmedchem.0c00371

Reference yield:

2-[2-(4-chlorophenoxy)ethyl]-1H-isoindole-1,3(2H)-dione (150058-39-2) → 2-(4-chlorophenoxy)ethan-1-amine (28769-06-4)

Guidance literature:

With hydrazine hydrate; In ethanol; at 50 ℃; for 4h;

DOI:10.1021/acsmedchemlett.6b00330 DOI:10.1021/acsmedchemlett.8b00177

Reference yield:

1-(2-bromoethoxy)-4-chlorobenzene (2033-76-3) → 2-(4-chlorophenoxy)ethan-1-amine (28769-06-4)

Guidance literature:

With methanol; ammonia;

upstream raw materials:

1-(2-bromoethoxy)-4-chlorobenzene

(4-chlorophenoxy)acetonitrile

4-chloro-phenol

2-[2-(4-chlorophenoxy)ethyl]-1H-isoindole-1,3(2H)-dione

Downstream raw materials:

3-[2-(4-chloro-phenoxy)-ethyl]-2-(4-chloro-phenyl)-thiazolidin-4-one

3-[2-(4-chloro-phenoxy)-ethyl]-2-(2-chloro-phenyl)-thiazolidin-4-one

3-[2-(4-chloro-phenoxy)-ethyl]-2-phenyl-thiazolidin-4-one

Refernces

• 1、 Sniecikowska, Joanna,Gluch-Lutwin, Monika,Bucki, Adam,Wi?ckowska, Anna,Siwek, Agata,Jastrzebska-Wiesek, Magdalena,Partyka, Anna,Wilczyńska, Daria,Pytka, Karolina,Latacz, Gniewomir,Przejczowska-Pomierny, Katarzyna,Wyska, El?bieta,Weso?owska, Anna,Paw?owski, Maciej,Newman-Tancredi, Adrian,Kolaczkowski, Marcin. "Discovery of Novel pERK1/2- or β-Arrestin-Preferring 5-HT1AReceptor-Biased Agonists: Diversified Therapeutic-like versus Side Effect Profile". supporting information. p. 10946 - 10971. Retrieved 2020/11/09.
• 2、 Li, Linhu,Lv, Kai,Yang, Yupeng,Sun, Jingquan,Tao, Zeyu,Wang, Apeng,Wang, Bin,Wang, Hongjian,Geng, Yunhe,Liu, Mingliang,Guo, Huiyuan,Lu, Yu. "Identification of N-Benzyl 3,5-Dinitrobenzamides Derived from PBTZ169 as Antitubercular Agents". . p. 741 - 745. Retrieved 2018/07/05.