Methyl (cyclohexylamino)(phenyl)acetate

Base Information

• Chemical Name: Methyl (cyclohexylamino)(phenyl)acetate
• CAS No.: 78907-07-0
• Molecular Formula: C15H21NO2
• Molecular Weight: 247.33
• DSSTox Substance ID: DTXSID30395976

Synonyms:methyl (cyclohexylamino)(phenyl)acetate;78907-07-0;CHEMBRDG-BB 6975273;methyl 2-(cyclohexylamino)-2-phenylacetate;DTXSID30395976;AKOS006026712

Chemical Property of Methyl (cyclohexylamino)(phenyl)acetate

Chemical Property:

• Vapor Pressure: 3.27E-05mmHg at 25°C
• Boiling Point: 354.8°C at 760 mmHg
• Flash Point: 168.4°C
• Density: 1.06g/cm³
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 247.157228913
• Heavy Atom Count: 18
• Complexity: 255

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(C1=CC=CC=C1)NC2CCCCC2

Technology Process of Methyl (cyclohexylamino)(phenyl)acetate

There total 2 articles about Methyl (cyclohexylamino)(phenyl)acetate 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: 20.0%

1-(triisopropylsilyloxy)-1-methoxy-2-phenylethylene (213339-69-6) + cyclohexylamine (108-91-8,157973-60-9) → methyl 2-(cyclohexylamino)-2-phenylacetate (78907-07-0)

Guidance literature:

cyclohexylamine; With N-chloro-succinimide; In acetonitrile; at 20 ℃; for 0.5h; Darkness; Inert atmosphere;

1-(triisopropylsilyloxy)-1-methoxy-2-phenylethylene; With [2,2]bipyridinyl; copper(l) iodide; In [D₃]acetonitrile; at 20 ℃; for 12h; Inert atmosphere;

DOI:10.1021/ol302331k

Reference yield:

bromo-phenyl-acetic acid methyl ester (37167-62-7,3042-81-7,61139-20-6) + cyclohexylamine (108-91-8,157973-60-9) → methyl 2-(cyclohexylamino)-2-phenylacetate (78907-07-0)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In acetonitrile; at 20 ℃; for 4h;

DOI:10.1016/j.bmc.2006.02.028

Reference yield: 62.1%

methyl 2-(cyclohexylamino)-2-phenylacetate (78907-07-0) + phenylacetyl chloride (103-80-0) → (Cyclohexyl-phenylacetyl-amino)-phenyl-acetic acid methyl ester (83529-26-4)

Guidance literature:

With sodium iodide; In benzene; 1.) overnight, 2.) reflux, 18 h;

DOI:10.1007/BF00761542

upstream raw materials:

bromo-phenyl-acetic acid methyl ester

cyclohexylamine

1-(triisopropylsilyloxy)-1-methoxy-2-phenylethylene

Downstream raw materials:

(Cyclohexyl-phenylacetyl-amino)-phenyl-acetic acid methyl ester

(cyclohexylamino)(phenyl)acetic acid

N-(2-aminophenyl)-2-(cyclohexylamino)-2-phenylacetamide

[(1H-benzoimidazol-2-yl)-phenyl-methyl]-cyclohexyl-amine

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