N-(3-Ethoxy-4-fluorobenzoyl)-D-serine methyl ester

Base Information

Chemical Name:N-(3-Ethoxy-4-fluorobenzoyl)-D-serine methyl ester
CAS No.:445019-49-8
Molecular Formula:C₁₃H₁₆FNO₅
Molecular Weight:285.272
Hs Code.:
DSSTox Substance ID:DTXSID701230659

Synonyms:DTXSID701230659;N-(3-Ethoxy-4-fluorobenzoyl)-D-serine methyl ester;445019-49-8

Suppliers and Price of N-(3-Ethoxy-4-fluorobenzoyl)-D-serine methyl ester

Supply Marketing:

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

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Chemical Property of N-(3-Ethoxy-4-fluorobenzoyl)-D-serine methyl ester

Chemical Property:

XLogP3:0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:285.10125077
Heavy Atom Count:20
Complexity:339

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCOC1=C(C=CC(=C1)C(=O)NC(CO)C(=O)OC)F
Isomeric SMILES:CCOC1=C(C=CC(=C1)C(=O)N[C@H](CO)C(=O)OC)F

Technology Process of N-(3-Ethoxy-4-fluorobenzoyl)-D-serine methyl ester

There total 3 articles about N-(3-Ethoxy-4-fluorobenzoyl)-D-serine methyl ester 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: 89.0%

: 5874-57-7
R-(-)-serine methyl ester hydrochloride

: 445026-29-9
3-ethoxy-4-fluorobenzoic acid

: 445019-49-8
N-(3-ethoxy-4-fluorobenzoyl)-D-serine methyl ester

Guidance literature:: With AtH₂⁽¹⁺⁾*HO^(1-); N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 16h;
DOI:10.1021/jm010579r

Reference yield:

: 900174-64-3
4-Bromo-2-ethoxy-1-fluorobenzene

: 445019-49-8
N-(3-ethoxy-4-fluorobenzoyl)-D-serine methyl ester

Guidance literature:: Multi-step reaction with 2 steps

1.1: t-butyllithium / tetrahydrofuran; pentane / 0.25 h / -78 °C

1.2: tetrahydrofuran; pentane / -78 - -10 °C

2.1: 89 percent / HATU; AtOH; DIEA / dimethylformamide / 16 h / 0 - 20 °C

With AtH₂⁽¹⁺⁾*HO^(1-); tert.-butyl lithium; N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In tetrahydrofuran; N,N-dimethyl-formamide; pentane;
DOI:10.1021/jm010579r

Reference yield:

: 112204-58-7
5-Bromo-2-fluorophenol

: 445019-49-8
N-(3-ethoxy-4-fluorobenzoyl)-D-serine methyl ester

Guidance literature:: Multi-step reaction with 3 steps

1.1: K₂CO₃ / acetone / 20 °C

2.1: t-butyllithium / tetrahydrofuran; pentane / 0.25 h / -78 °C

2.2: tetrahydrofuran; pentane / -78 - -10 °C

3.1: 89 percent / HATU; AtOH; DIEA / dimethylformamide / 16 h / 0 - 20 °C

With AtH₂⁽¹⁺⁾*HO^(1-); tert.-butyl lithium; potassium carbonate; N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In tetrahydrofuran; N,N-dimethyl-formamide; acetone; pentane;
DOI:10.1021/jm010579r