3-(4-Methoxyphenoxy)propan-1-amine

Base Information

• Chemical Name: 3-(4-Methoxyphenoxy)propan-1-amine
• CAS No.: 100841-00-7
• Molecular Formula: C10H15NO2
• Molecular Weight: 181.235
• Hs Code.: 2922299090
• European Community (EC) Number: 860-103-9
• DSSTox Substance ID: DTXSID60389984
• Nikkaji Number: J3.258.854I
• Wikidata: Q82186313
• Mol file: 100841-00-7.mol

Synonyms:100841-00-7;3-(4-methoxyphenoxy)propan-1-amine;3-(4-Methoxy-phenoxy)-propylamine;3-(4-Methoxyphenoxy)propylamine;1-Propanamine, 3-(4-methoxyphenoxy)-;MFCD05053658;SCHEMBL1010741;DTXSID60389984;NCGAPYLHHZMWPI-UHFFFAOYSA-N;[3-(4-methoxyphenoxy)propyl]amine;3-(4-methoxyphenoxy)-1-Propanamine;AC7558;3-(4-Methoxyphenoxy)propane-1-amine;AKOS000123788;NCGC00323340-01;AS-76749;SY008295;BB 0241851;CS-0030468;FT-0677271;EN300-54271;AB01318287-02;AB01318287-03;Z271006116

Chemical Property of 3-(4-Methoxyphenoxy)propan-1-amine

Chemical Property:

• Vapor Pressure: 0.000874mmHg at 25°C
• Melting Point: 36-37 °C
• Boiling Point: 304.4oC at 760 mmHg
• PKA: 9.45±0.10(Predicted)
• Flash Point: 150.4oC
• PSA: 44.48000
• Density: 1.04g/cm3
• LogP: 2.12310
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 181.110278721
• Heavy Atom Count: 13
• Complexity: 122

Purity/Quality:

99% ^*data from raw suppliers

3-(4-Methoxyphenoxy)propylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)OCCCN

Technology Process of 3-(4-Methoxyphenoxy)propan-1-amine

There total 4 articles about 3-(4-Methoxyphenoxy)propan-1-amine 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: 90.0%

2-(4-Methoxyphenoxy)cyanoethane (63815-39-4) → 3-(4-methoxyphenoxy)propan-1-amine (100841-00-7)

Guidance literature:

With borane-THF; In tetrahydrofuran; at 65 ℃; for 5h;

DOI:10.1055/s-2008-1032123

Reference yield: 87.0%

3-bromopropylamine tert-butylcarbamate (83948-53-2) + 4-methoxy-phenol (150-76-5) → 3-(4-methoxyphenoxy)propan-1-amine (100841-00-7)

Guidance literature:

3-bromopropylamine tert-butylcarbamate; 4-methoxy-phenol; With potassium carbonate; In N,N-dimethyl-formamide; at 20 - 50 ℃; for 17h; Inert atmosphere;

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 3h; Inert atmosphere;

DOI:10.1039/c4ob00711e

Reference yield: 58.0%

N-[3-(4-methoxy-phenoxy)-propyl]-phthalimide (100840-46-8) → 3-(4-methoxyphenoxy)propan-1-amine (100841-00-7)

Guidance literature:

With methylamine; In methanol; at 20 ℃; for 4h;

DOI:10.1021/jm051134w

upstream raw materials:

N-[3-(4-methoxy-phenoxy)-propyl]-phthalimide

2-(4-Methoxyphenoxy)cyanoethane

4-methoxy-phenol

3-bromopropylamine tert-butylcarbamate

Downstream raw materials:

(2R)-2-[3-[[1,3-benzoxazol-2-yl-[3-(4-methoxyphenoxy)propyl]amino]methyl]phenoxy]butanoic acid

C₂₈H₃₀N₂O₆

(E)-methyl 3-[3-(4-methoxyphenoxy)propylamino]acrylate

(Z)-methyl 3-[3-(4-methoxyphenoxy)propylamino]acrylate

Refernces

• 1、 Yamazaki, Yukiyoshi,Araki, Takaaki,Koura, Minoru,Shibuya, Kimiyuki. "Enantioselective synthesis of the PPARα agonist (R)-K-13675 via (S)-2-hydroxybutyrolactone". . p. 1017 - 1022. Retrieved 2008/12/22.
• 2、 -. "OPTICALLY ACTIVE PPAR-ACTIVATING COMPOUND INTERMEDIATE AND METHOD FOR PRODUCING SAME". Page/Page column 7; 9. . Retrieved 2008/06/13.