2-(3,4-Dichlorophenoxy)ethanamine

Base Information

• Chemical Name: 2-(3,4-Dichlorophenoxy)ethanamine
• CAS No.: 38949-70-1
• Molecular Formula: C8H9Cl2NO
• Molecular Weight: 206.072
• Hs Code.: 2922299090
• European Community (EC) Number: 850-427-9
• DSSTox Substance ID: DTXSID601300021
• Mol file: 38949-70-1.mol

Synonyms:38949-70-1;2-(3,4-dichlorophenoxy)ethanamine;[2-(3,4-dichlorophenoxy)ethyl]amine hydrochloride;4-(2-Aminoethoxy)-1,2-dichlorobenzene;2-(3,4-dichlorophenoxy)ethan-1-amine;2-[3,4-Bis(Chloranyl)phenoxy]ethanamine;SCHEMBL3298738;RXPLSUNVXZROEH-UHFFFAOYSA-N;DTXSID601300021;AMY41821;MFCD09906750;STK895080;2-(3,4-Dichloro-phenoxy)-ethylamine;AKOS005172624;SB77751;BS-33478;SY205139;EN300-227502;G22613;6SF

Chemical Property of 2-(3,4-Dichlorophenoxy)ethanamine

Chemical Property:

• Boiling Point: 306.0±32.0 °C(Predicted)
• PKA: 8.10±0.10(Predicted)
• PSA: 35.25000
• Density: 1.308±0.06 g/cm3(Predicted)
• LogP: 3.03120
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 205.0061193
• Heavy Atom Count: 12
• Complexity: 134

Purity/Quality:

98%min ^*data from raw suppliers

2-(3,4-dichlorophenoxy)ethan-1-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1OCCN)Cl)Cl

Technology Process of 2-(3,4-Dichlorophenoxy)ethanamine

There total 5 articles about 2-(3,4-Dichlorophenoxy)ethanamine 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: 94.0%

tert-butyl 2-(3,4-dichlorophenoxy)ethylcarbamate (333799-81-8) → 2-(3,4-dichlorophenoxy)ethanamine (38949-70-1)

Guidance literature:

With trifluoroacetic acid; In tetrahydrofuran; at 0 - 20 ℃;

DOI:10.1016/j.bmc.2009.05.085

Reference yield: 39.0%

N-[2-(3,4-dichloro-phenoxy)-ethyl]-phthalimide (29947-85-1) → 2-(3,4-dichlorophenoxy)ethanamine (38949-70-1)

Guidance literature:

With hydrazine; In ethanol; at 20 - 60 ℃; for 2h;

Reference yield:

3,4-dichlorophenol (95-77-2) → 2-(3,4-dichlorophenoxy)ethanamine (38949-70-1)

Guidance literature:

Multi-step reaction with 2 steps

1: K₂CO₃

2: BH₃

With borane; potassium carbonate;

DOI:10.1021/jm00260a003

upstream raw materials:

(3,4-Dichloro-phenoxy)-acetonitrile

3,4-dichlorophenol

tert-butyl 2-(3,4-dichlorophenoxy)ethylcarbamate

N-[2-(3,4-dichloro-phenoxy)-ethyl]-phthalimide

Downstream raw materials:

1-(3,5-bis-trifluoromethyl-phenyl)-3-[2-(3,4-dichloro-phenoxy)-ethyl]-thiourea

N-(2-(3,4-dichlorophenoxy)ethyl)-2-(4-(methylsulfonamido)phenoxy)acetamide

1-(2-(3,4-dichlorophenoxy)ethyl)-6-phenyl-1,6-dihydro-1,3,5-triazine-2,4-diamine hydrochloride

Refernces

• 1、 -. "ANTI-INFECTIVE THIOUREA COMPOUNDS". Page/Page column 24-25. . Retrieved 2008/06/13.
• 2、 Fuller,Molloy,Day,Roush,Marsh. "Inhibition of phenylethanolamine N-methyltransferase by benzylamines. 1. Structure-activity relationships.". . p. 101 - 106. Retrieved 2007/10/06.