Methyl 2-[3-(tert-butoxycarbonylaminomethyl)-pyridin-4-yl]benzoate

Base Information

Chemical Name:Methyl 2-[3-(tert-butoxycarbonylaminomethyl)-pyridin-4-yl]benzoate
CAS No.:434319-46-7
Molecular Formula:C19H22N2O4
Molecular Weight:342.395
Hs Code.:
DSSTox Substance ID:DTXSID001137743

Synonyms:SCHEMBL6764136;LNOCLGCWYJLMKM-UHFFFAOYSA-N;DTXSID001137743;Methyl 2-[3-(tert-butoxycarbonylaminomethyl)-pyridin-4-yl]benzoate;Methyl 2-[3-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-4-pyridinyl]benzoate;434319-46-7

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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-[3-(tert-butoxycarbonylaminomethyl)-pyridin-4-yl]benzoate

Chemical Property:

XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:342.15795719
Heavy Atom Count:25
Complexity:461

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)(C)OC(=O)NCC1=C(C=CN=C1)C2=CC=CC=C2C(=O)OC

Technology Process of Methyl 2-[3-(tert-butoxycarbonylaminomethyl)-pyridin-4-yl]benzoate

There total 2 articles about Methyl 2-[3-(tert-butoxycarbonylaminomethyl)-pyridin-4-yl]benzoate 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: 84.0%

: 610-94-6
2-bromobenzoic acid methyl ester

: 433969-29-0
3-(tert-butoxycarbonylaminomethyl)pyridyl-4-boronic acid

: 434319-46-7
2-[3-(tert-butoxycarbonylaminomethyl)pyridin-4-yl]benzoic acid methyl ester

Guidance literature:: With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In 1,2-dimethoxyethane; for 13h; Heating;
DOI:10.1021/jm0210461

Reference yield:

: 102297-41-6
3-<amino>methyl>pyridine

: 434319-46-7
2-[3-(tert-butoxycarbonylaminomethyl)pyridin-4-yl]benzoic acid methyl ester

Guidance literature:: Multi-step reaction with 2 steps

1.1: tBuLi / tetrahydrofuran; pentane / -78 - -20 °C

1.2: B(OMe)3 / tetrahydrofuran; pentane / -20 - 20 °C

1.3: 65 percent / aq. HCl / tetrahydrofuran; pentane

2.1: 84 percent / Pd(PPh₃)4; 2 M aq. Na₂CO₃ / 1,2-dimethoxy-ethane / 13 h / Heating

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; tert.-butyl lithium; sodium carbonate; In tetrahydrofuran; 1,2-dimethoxyethane; pentane; 2.1: Suzuki coupling;
DOI:10.1021/jm0210461