2-(4-phenoxyphenyl)ethanamine Hydrochloride

Base Information

• Chemical Name: 2-(4-phenoxyphenyl)ethanamine Hydrochloride
• CAS No.: 106272-17-7
• Molecular Formula: C14H16ClNO
• Molecular Weight: 249.74
• ChEMBL ID: CHEMBL229289
• DSSTox Substance ID: DTXSID30468215
• Mol file: 106272-17-7.mol

Synonyms:2-(4-phenoxyphenyl)ethanamine Hydrochloride;106272-17-7;Benzeneethanamine, 4-phenoxy-, hydrochloride;2-(4-phenoxyphenyl)ethanamine;hydrochloride;C14H16ClNO;2-(4-phenoxyphenyl)ethanaminium chloride;CHEMBL229289;2-(4-PHENOXYPHENYL)ETHANAMINE HCL;SCHEMBL4456158;DTXSID30468215;MFCD25976438;AKOS025147077;DS-8812;2-(4-phenoxyphenyl)ethanamineHydrochloride;A895832

Chemical Property of 2-(4-phenoxyphenyl)ethanamine Hydrochloride

Chemical Property:

• Melting Point: 209-210 °C
• PSA: 35.25000
• LogP: 4.48240
• Storage Temp.: Sealed in dry,Room Temperature
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 249.0920418
• Heavy Atom Count: 17
• Complexity: 181

Purity/Quality:

97% ^*data from raw suppliers

2-(4-Phenoxyphenyl)ethanamineHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)CCN.Cl

Technology Process of 2-(4-phenoxyphenyl)ethanamine Hydrochloride

There total 4 articles about 2-(4-phenoxyphenyl)ethanamine Hydrochloride 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: 100.0%

tert-butyl(4-phenoxyphenethyl)carbamate (788824-72-6) → Phenyltyramine hydrochloride (106272-17-7)

Guidance literature:

With hydrogenchloride; In ethyl acetate; at 20 ℃;

DOI:10.1021/jm0505718

Reference yield:

1-cyanomethyl-4-phenoxybenzene (92163-15-0) → Phenyltyramine hydrochloride (106272-17-7)

Guidance literature:

With hydrogenchloride; hydrogen; palladium on activated charcoal; In methanol; at 20 ℃; for 16h; under 760.051 Torr;

DOI:10.1021/jm070678q

Reference yield:

tyrosamine (51-67-2) → Phenyltyramine hydrochloride (106272-17-7)

Guidance literature:

Multi-step reaction with 3 steps

1: 91 percent / aq. NaHCO₃ / tetrahydrofuran / 24 h

2: 73 percent / Cu(OAc)2; Et₃N; pyridine / 4 Angstroem molecular sieves / CH₂Cl₂ / 20 °C

3: 100 percent / HCl / ethyl acetate / 20 °C

With pyridine; hydrogenchloride; copper diacetate; sodium hydrogencarbonate; triethylamine; 4 A molecular sieve; In tetrahydrofuran; dichloromethane; ethyl acetate;

DOI:10.1021/jm0505718

upstream raw materials:

tert-butyl(4-phenoxyphenethyl)carbamate

tyrosamine

N-t-butoxycarbonyl-tyramine

1-cyanomethyl-4-phenoxybenzene

Downstream raw materials:

C₁₅H₁₃NO₂

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