1-(4-Aminophenoxy)-3-ethoxypropan-2-ol

Base Information

• Chemical Name: 1-(4-Aminophenoxy)-3-ethoxypropan-2-ol
• CAS No.: 94056-98-1
• Molecular Formula: C11H17NO3
• Molecular Weight: 211.261
• Hs Code.: 2922509090
• DSSTox Substance ID: DTXSID40444722
• Nikkaji Number: J1.631.677F
• Mol file: 94056-98-1.mol

Synonyms:1-(4-Aminophenoxy)-3-ethoxypropan-2-ol;94056-98-1;4-[3-ETHOXY-2-(HYDROXYL)PROPOXY]ANILINE;1-(4-Aminophenoxy)-3-ethoxy-2-propanol;4-(3-ethoxy-2-hydroxypropoxy)aniline;SCHEMBL5494961;DTXSID40444722;XGLCTRQIEGPEPR-UHFFFAOYSA-N;AKOS011549737;4-[3-ethoxy-2-(hydroxy)propoxy]aniline;1-Ethoxy-3-(4-aminophenoxy)-2-propanol;A859582

Chemical Property of 1-(4-Aminophenoxy)-3-ethoxypropan-2-ol

Chemical Property:

• Boiling Point: 386.31 °C at 760 mmHg
• PKA: 13.67±0.20(Predicted)
• Flash Point: 187.434 °C
• PSA: 64.71000
• Density: 1.136 g/cm³
• LogP: 1.62620
• Storage Temp.: 2-8°C
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 211.12084340
• Heavy Atom Count: 15
• Complexity: 158

Purity/Quality:

99% ^*data from raw suppliers

1-(4-Aminophenoxy)-3-ethoxypropan-2-ol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOCC(COC1=CC=C(C=C1)N)O

Technology Process of 1-(4-Aminophenoxy)-3-ethoxypropan-2-ol

There total 5 articles about 1-(4-Aminophenoxy)-3-ethoxypropan-2-ol 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: 81.0%

1-Ethoxy-3-(4-nitro-phenoxy)-propan-2-ol (94925-71-0) → 4-[3-ethoxy-2-(hydroxy)propoxy]aniline (94056-98-1)

Guidance literature:

With iron(III) chloride; hydrazine; In methanol; Heating;

DOI:10.1021/ja020454r

Reference yield:

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) → 4-[3-ethoxy-2-(hydroxy)propoxy]aniline (94056-98-1)

Guidance literature:

Multi-step reaction with 3 steps

1: 1.) pyridine, 2.) aq. KOH / 1.) 90 deg C, 6 h, 2.) acetone, RT, 2 h

2: H₂SO₄ / 6 h / 80 °C

3: H₂ / 10percent Pd/C / ethanol / 8 h / Ambient temperature

With pyridine; potassium hydroxide; sulfuric acid; hydrogen; palladium on activated charcoal; In ethanol;

DOI:10.1021/jm970285z

Reference yield:

4-nitrophenyl 2-oxiranylmethyl ether (125228-75-3) → 4-[3-ethoxy-2-(hydroxy)propoxy]aniline (94056-98-1)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂SO₄ / 6 h / 80 °C

2: H₂ / 10percent Pd/C / ethanol / 8 h / Ambient temperature

With sulfuric acid; hydrogen; palladium on activated charcoal; In ethanol;

DOI:10.1021/jm970285z

upstream raw materials:

1-Ethoxy-3-(4-nitro-phenoxy)-propan-2-ol

2-(ethoxymethyl)oxirane

1-ethoxy-3-chloro-propan-2-ol

4-nitro-phenol

Downstream raw materials:

2-{4-(3-ethoxy-2-hydroxypropoxy)phenylcarbamoyl}ethyl methyl sulfide

Acetic acid 1-ethoxymethyl-2-[4-(3-methylsulfanyl-propionylamino)-phenoxy]-ethyl ester

suplatast tosilate

(+/-)-[2-[4-(3-ethoxy-2-hydroxypropoxy)phenylcarbamoyl]ethyl]dimethylamine

Refernces

• 1、 Tada, Yukio,Yamawaki, Ichiro,Ueda, Shuichi,Matsumoto, Hiroshi,Matsuura, Naosuke,Yasumoto, Mitsugi,Koda, Akihide,Hori, Mikio. "Synthesis and antiallergic activity of dimethyl-2- (phenylcarbamoyl)ethylsulfonium p-toluenesulfonate derivatives". . p. 3330 - 3336. Retrieved 2007/10/03.