2-(2,4-Dichlorophenoxy)propane-1,3-diamine

Base Information

• Chemical Name: 2-(2,4-Dichlorophenoxy)propane-1,3-diamine
• CAS No.: 676167-18-3
• Molecular Formula: C9H12Cl2N2O
• Molecular Weight: 235.1104
• DSSTox Substance ID: DTXSID50703014
• Mol file: 676167-18-3.mol

Synonyms:2-(2,4-Dichlorophenoxy)propane-1,3-diamine;676167-18-3;DTXSID50703014

Chemical Property of 2-(2,4-Dichlorophenoxy)propane-1,3-diamine

Chemical Property:

• Vapor Pressure: 6.73E-06mmHg at 25°C
• Refractive Index: 1.577
• Boiling Point: 377.5 °C at 760 mmHg
• Flash Point: 182.1 °C
• Density: 1.32 g/cm³
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 234.0326684
• Heavy Atom Count: 14
• Complexity: 167

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)Cl)OC(CN)CN

Technology Process of 2-(2,4-Dichlorophenoxy)propane-1,3-diamine

There total 1 articles about 2-(2,4-Dichlorophenoxy)propane-1,3-diamine 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: 54.0%

1,3-dichloro-4-fluorobenzene (1435-48-9) + 1,3-Diamino-2-hydroxypropane (616-29-5) → 2-(2,4-dichlorophenoxy)propane-1,3-diamine (676167-18-3)

Guidance literature:

1,3-Diamino-2-hydroxypropane; With sodium hydride; In N,N-dimethyl acetamide;

1,3-dichloro-4-fluorobenzene; In N,N-dimethyl acetamide; at 170 ℃; for 0.0694444h; microwave irradiation;

DOI:10.1021/jo030338m

Reference yield: 70.0%

carbon disulfide (75-15-0,12122-00-8) + 2-(2,4-dichlorophenoxy)propane-1,3-diamine (676167-18-3) → 5-(2,4-dichlorophenoxy)-3,4,5,6-tetrahydropyrimidine-2(1H)-thione (676167-21-8)

Guidance literature:

In ethanol; at 140 ℃; for 0.0555556h; microwave irradiation;

DOI:10.1021/jo030338m

Reference yield:

2-(2,4-dichlorophenoxy)propane-1,3-diamine (676167-18-3) → 5-(2,4-dichlorophenoxy)-3,4,5,6-tetrahydropyrimidin-2(1H)-one

Guidance literature:

Multi-step reaction with 3 steps

1: 70 percent / ethanol / 0.06 h / 140 °C / microwave irradiation

2: 86 percent / acetonitrile / 0.14 h / 130 °C / microwave irradiation

3: 87 percent / NH₄OH / H₂O / 0.14 h / 150 °C / microwave irradiation

With ammonium hydroxide; In ethanol; water; acetonitrile;

DOI:10.1021/jo030338m

upstream raw materials:

1,3-dichloro-4-fluorobenzene

1,3-Diamino-2-hydroxypropane

Downstream raw materials:

5-(2,4-dichlorophenoxy)-3,4,5,6-tetrahydropyrimidine-2(1H)-thione

Refernces