1-(Dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-ol

Base Information

• Chemical Name: 1-(Dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-ol
• CAS No.: 127003-40-1
• Molecular Formula: C₂₀H₂₇NO₃
• Molecular Weight: 329.439
• Hs Code.: 2922509090
• DSSTox Substance ID: DTXSID80925762
• Mol file: 127003-40-1.mol

Synonyms:1-(dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-ol;1-(dimethylamino)-3-{2-[2-(4-methoxyphenyl)ethyl]phenoxy}propan-2-ol;SCHEMBL23694369;DTXSID80925762

Chemical Property of 1-(Dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-ol

Chemical Property:

• Vapor Pressure: 1.59E-09mmHg at 25°C
• Boiling Point: 467.1°C at 760 mmHg
• Flash Point: 236.3°C
• PSA: 41.93000
• Density: 1.09g/cm³
• LogP: 2.82180
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 329.19909372
• Heavy Atom Count: 24
• Complexity: 329

Purity/Quality:

98%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CC(COC1=CC=CC=C1CCC2=CC=C(C=C2)OC)O

Technology Process of 1-(Dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-2-ol

There total 12 articles about 1-(Dimethylamino)-3-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]propan-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: 98.8%

C20H25NO3 → (R,S)-1-<2-<2-(3-methoxyphenyl)ethyl>phenoxy>-3-(dimethylamino)-2-propanol (135963-42-7,127003-40-1)

Guidance literature:

With 5%-palladium/activated carbon; hydrogen; In methanol; at 55 ℃; under 1520.1 Torr;

Reference yield: 95.8%

[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]oxirane + dimethyl amine (124-40-3) → (R,S)-1-<2-<2-(3-methoxyphenyl)ethyl>phenoxy>-3-(dimethylamino)-2-propanol (135963-42-7,127003-40-1)

Guidance literature:

In ethanol; isopropyl alcohol; at 45 ℃; for 3h; Temperature; Solvent;

Reference yield: 38.0%

(S)-2-[2-(2-(3-methoxy)phenylethyl)phenoxy]methyloxirane + N,N-dimethylammonium chloride (506-59-2) → (S)-1-<2-<2-(3-methoxyphenyl)ethyl>phenoxy>-3-(dimethylamino)-2-propanol (127003-40-1)

Guidance literature:

With lithium perchlorate; In acetonitrile; at 65 ℃; for 20h;

DOI:10.1124/dmd.113.051862

upstream raw materials:

dimethyl amine

1-(2-hydroxyphenyl)-2-(3-methoxyphenyl)ethylene

2-[2-(3-methoxyphenyl)ethyl]phenol

C₂₆H₂₄ClOP

Downstream raw materials:

C₂₆H₃₅NO₉

C₂₆H₃₅NO₉

sarpogrelate hydrochloride

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