Methyl 2,6-difluoro-3-[(2-phenylethyl)amino]benzeneacetate

Base Information

Chemical Name:Methyl 2,6-difluoro-3-[(2-phenylethyl)amino]benzeneacetate
CAS No.:361336-88-1
Molecular Formula:C₁₇H₁₇F₂NO₂
Molecular Weight:305.324
Hs Code.:
DSSTox Substance ID:DTXSID201194034

Synonyms:DTXSID201194034;Methyl 2,6-difluoro-3-[(2-phenylethyl)amino]benzeneacetate;361336-88-1

Suppliers and Price of Methyl 2,6-difluoro-3-[(2-phenylethyl)amino]benzeneacetate

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of Methyl 2,6-difluoro-3-[(2-phenylethyl)amino]benzeneacetate

Chemical Property:

XLogP3:3.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:305.12273511
Heavy Atom Count:22
Complexity:348

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC(=O)CC1=C(C=CC(=C1F)NCCC2=CC=CC=C2)F

Technology Process of Methyl 2,6-difluoro-3-[(2-phenylethyl)amino]benzeneacetate

There total 5 articles about Methyl 2,6-difluoro-3-[(2-phenylethyl)amino]benzeneacetate 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: 41.0%

: 122-78-1
phenylacetaldehyde

: 361336-80-3
methyl 2-(3-amino-2,6-difluorophenyl)acetate

: 361336-88-1
methyl {2,6-difluoro-3-[(2-phenylethyl)amino]phenyl}acetate

Guidance literature:: With sodium tris(acetoxy)borohydride; acetic acid; In tetrahydrofuran; dichloromethane; at 20 ℃;
DOI:10.1021/jm030233b

Reference yield:

: 85068-28-6
2,6-difluorophenylacetic acid

: 361336-88-1
methyl {2,6-difluoro-3-[(2-phenylethyl)amino]phenyl}acetate

Guidance literature:: Multi-step reaction with 5 steps

1: 91 percent / HNO₃ / methanol / 0.25 h / -10 °C

2: oxalyl chloride; DMF / CH₂Cl₂ / 20 °C

3: 5.47 g / pyridine / CH₂Cl₂ / 20 °C

4: 68 percent / Fe; glacial acetic acid / 80 °C

5: 41 percent / NaHB(OAc)3; AcOH / tetrahydrofuran; CH₂Cl₂ / 20 °C

With pyridine; oxalyl dichloride; nitric acid; sodium tris(acetoxy)borohydride; iron; acetic acid; N,N-dimethyl-formamide; In tetrahydrofuran; methanol; dichloromethane;
DOI:10.1021/jm030233b

Reference yield:

: (2,6-difluoro-3-nitro-phenyl)-acetyl chloride

: 361336-88-1
methyl {2,6-difluoro-3-[(2-phenylethyl)amino]phenyl}acetate

Guidance literature:: Multi-step reaction with 3 steps

1: 5.47 g / pyridine / CH₂Cl₂ / 20 °C

2: 68 percent / Fe; glacial acetic acid / 80 °C

3: 41 percent / NaHB(OAc)3; AcOH / tetrahydrofuran; CH₂Cl₂ / 20 °C

With pyridine; sodium tris(acetoxy)borohydride; iron; acetic acid; In tetrahydrofuran; dichloromethane;
DOI:10.1021/jm030233b