Propanedioic acid, (acetylamino)[(4-borono-2-fluorophenyl)methyl]-, 1,3-diethyl ester

Base Information

Chemical Name:Propanedioic acid, (acetylamino)[(4-borono-2-fluorophenyl)methyl]-, 1,3-diethyl ester
CAS No.:292050-23-8
Molecular Formula:C₁₆H₂₁BFNO₇
Molecular Weight:369.155
Hs Code.:
DSSTox Substance ID:DTXSID001128140

Synonyms:DTXSID001128140;Propanedioic acid, (acetylamino)[(4-borono-2-fluorophenyl)methyl]-, 1,3-diethyl ester;292050-23-8

Suppliers and Price of Propanedioic acid, (acetylamino)[(4-borono-2-fluorophenyl)methyl]-, 1,3-diethyl ester

Supply Marketing:

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

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Chemical Property of Propanedioic acid, (acetylamino)[(4-borono-2-fluorophenyl)methyl]-, 1,3-diethyl ester

Chemical Property:

Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:10
Exact Mass:369.1395103
Heavy Atom Count:26
Complexity:499

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:B(C1=CC(=C(C=C1)CC(C(=O)OCC)(C(=O)OCC)NC(=O)C)F)(O)O

Technology Process of Propanedioic acid, (acetylamino)[(4-borono-2-fluorophenyl)methyl]-, 1,3-diethyl ester

There total 3 articles about Propanedioic acid, (acetylamino)[(4-borono-2-fluorophenyl)methyl]-, 1,3-diethyl 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:

: 51436-99-8
2-fluoro-4-bromotoluene

: 292050-23-8
2-[1-Acetylamino-2-(4-borono-2-fluorophenyl)ethyl]malonic acid diethyl ester

Guidance literature:: Multi-step reaction with 3 steps

1.1: BuLi / tetrahydrofuran; hexane / 0.5 h / -50 °C

1.2: tetrahydrofuran; hexane / 12 h / 20 °C

1.3: 91 percent / aq. HCl / tetrahydrofuran; hexane

2.1: Br₂ / CCl₄ / Irradiation

3.1: NaOEt / ethanol / 0.75 h

3.2: 21.4 g / ethanol / 12 h / Heating

With n-butyllithium; bromine; sodium ethanolate; In tetrahydrofuran; tetrachloromethane; ethanol; hexane; 1.1: Metallation / 1.2: Substitution / 1.3: Hydrolysis / 2.1: Bromination / 3.1: Metallation / 3.2: Alkylation;
DOI:10.1080/00304940009355929

Reference yield:

: 168267-99-0
(3-fluoro-4-methylphenyl)boronic acid

: 292050-23-8
2-[1-Acetylamino-2-(4-borono-2-fluorophenyl)ethyl]malonic acid diethyl ester

Guidance literature:: Multi-step reaction with 2 steps

1.1: Br₂ / CCl₄ / Irradiation

2.1: NaOEt / ethanol / 0.75 h

2.2: 21.4 g / ethanol / 12 h / Heating

With bromine; sodium ethanolate; In tetrachloromethane; ethanol; 1.1: Bromination / 2.1: Metallation / 2.2: Alkylation;
DOI:10.1080/00304940009355929

Reference yield:

: C₇H₇BBrFO₂

: Diethyl acetamidomalonate

: 292050-23-8
2-[1-Acetylamino-2-(4-borono-2-fluorophenyl)ethyl]malonic acid diethyl ester

Guidance literature:: Diethyl acetamidomalonate; With sodium ethanolate; In ethanol; for 0.75h;

C₇H₇BBrFO₂; In ethanol; for 12h; Heating;
DOI:10.1080/00304940009355929