Benzeneacetamide, N-[2-(4-hydroxyphenyl)ethyl]-

Base Information

• Chemical Name: Benzeneacetamide, N-[2-(4-hydroxyphenyl)ethyl]-
• CAS No.: 176039-99-9
• Molecular Formula: C16H17NO2
• Molecular Weight: 255.316
• ChEMBL ID: CHEMBL541007
• DSSTox Substance ID: DTXSID10474450
• Nikkaji Number: J1.585.248H
• Wikidata: Q82304469

Synonyms:Benzeneacetamide, N-[2-(4-hydroxyphenyl)ethyl]-;176039-99-9;CHEMBL541007;SCHEMBL4152553;DTXSID10474450;AKOS005811566

Chemical Property of Benzeneacetamide, N-[2-(4-hydroxyphenyl)ethyl]-

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 255.125928785
• Heavy Atom Count: 19
• Complexity: 266

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC(=O)NCCC2=CC=C(C=C2)O

Technology Process of Benzeneacetamide, N-[2-(4-hydroxyphenyl)ethyl]-

There total 8 articles about Benzeneacetamide, N-[2-(4-hydroxyphenyl)ethyl]- 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: 94.0%

tyrosamine (51-67-2) + C20H15N5O5 → 4-<2-(benzylcarbonylamino)ethyl>phenol (176039-99-9)

Guidance literature:

In methanol; at 20 ℃; for 2h;

DOI:10.1016/S0040-4039(01)01358-2

Reference yield: 82.0%

tyrosamine (51-67-2) + C20H13Cl2N5O5 → 4-<2-(benzylcarbonylamino)ethyl>phenol (176039-99-9)

Guidance literature:

In methanol; at 20 ℃; for 56h;

DOI:10.1016/S0040-4039(01)01358-2

Reference yield: 70.0%

phenylacetic acid (103-82-2) + tyrosamine (51-67-2) → 4-<2-(benzylcarbonylamino)ethyl>phenol (176039-99-9)

Guidance literature:

phenylacetic acid; With (2-iodo-5-methoxyphenyl)boronic acid; In dichloromethane; at 25 ℃; for 0.166667h; Molecular sieve; Inert atmosphere;

tyrosamine; In toluene; at 20 ℃; for 24h; Inert atmosphere;

DOI:10.1021/jo3013258 DOI:10.1021/jo3013258

upstream raw materials:

tyrosamine

phenylacetyl chloride

phenylacetic acid

Downstream raw materials:

4-[2-(benzylcarbonylamino)ethyl]phenyl 2,4-di-O-methyl-3-O-{4-O-benzyl-2-O-methyl-3-O-[4-O-acetyl-2-O-methyl-3-O-(3-O-benzyl-2,6-dideoxy-4-O-methyl-2-phenylthio-α-D-arabino-hexopyranosyl)-α-L-fucopyranosyl]-α-L-rhamnopyranosyl}-α-L-rhamnopyranoside

4-[2-(benzylcarbonylamino)ethyl]phenyl 2,4-di-O-methyl-3-O-{4-O-benzyl-2-O-methyl-3-O-[4-O-acetyl-2-O-methyl-3-O-(3-O-benzyl-2,6-dideoxy-4-O-methyl-α-D-arabino-hexopyranosyl)-α-L-fucopyranosyl]-α-L-rhamnopyranosyl}-α-L-rhamnopyranoside

C₄₇H₆₃NO₁₅

4-<2-(benzylcarbonylamino)ethyl>phenyl 2,4-di-O-methyl-α-L-rhamnopyranoside

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