2-({6-[(3R)-3-amino-piperidin-1-yl]-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl}methyl)-4-fluorobenzonitrile hydrochloride

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Chemical Name:2-({6-[(3R)-3-amino-piperidin-1-yl]-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl}methyl)-4-fluorobenzonitrile hydrochloride
CAS No.:894793-77-2
Molecular Formula:C₂₁H₂₃FN₆O₂*ClH
Molecular Weight:446.912
Hs Code.:

2-({6-[(3R)-3-amino-piperidin-1-yl]-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl}methyl)-4-fluorobenzonitrile hydrochloride

Synonyms:2-({6-[(3R)-3-amino-piperidin-1-yl]-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl}methyl)-4-fluorobenzonitrile hydrochloride

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Chemical Property of 2-({6-[(3R)-3-amino-piperidin-1-yl]-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl}methyl)-4-fluorobenzonitrile hydrochloride

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Technology Process of 2-({6-[(3R)-3-amino-piperidin-1-yl]-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl}methyl)-4-fluorobenzonitrile hydrochloride

There total 8 articles about 2-({6-[(3R)-3-amino-piperidin-1-yl]-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl}methyl)-4-fluorobenzonitrile hydrochloride 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: 100.0%

: 1338930-87-2
tert-butyl-6-{(3R)-3-[(tert-butoxycarbonyl)amino]piperidin-1-yl}-5-(2-cyano-5-fluorobenzyl)-1,3-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidine-7-carboxylate

: 894793-77-2
2-({6-[(3R)-3-amino-piperidin-1-yl]-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl}methyl)-4-fluorobenzonitrile hydrochloride

Guidance literature:: tert-butyl-6-{(3R)-3-[(tert-butoxycarbonyl)amino]piperidin-1-yl}-5-(2-cyano-5-fluorobenzyl)-1,3-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidine-7-carboxylate; With benzenesulfonic acid; In ethanol; acetonitrile; at 40 - 80 ℃; Inert atmosphere;

With sodium hydroxide; In ethanol; water; ethyl acetate; acetonitrile; at 20 ℃; pH=> 8 - < 10; Inert atmosphere;

With hydrogenchloride; In methanol; water; at 20 ℃; Inert atmosphere;
DOI:10.1016/j.bmc.2011.07.042

Reference yield:

: 309956-78-3,172603-05-3
(R)-piperidin-3-ylcarbamic acid tert-butyl ester

: 894793-77-2
2-({6-[(3R)-3-amino-piperidin-1-yl]-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl}methyl)-4-fluorobenzonitrile hydrochloride

Guidance literature:: Multi-step reaction with 7 steps

1.1: acetonitrile / 1 h / 50 °C / Inert atmosphere

1.2: 10 h / 80 °C / Inert atmosphere

2.1: potassium carbonate / N,N-dimethyl-formamide / 2 h / 50 °C / Inert atmosphere

3.1: lithium amide / 1 h / 80 °C / Inert atmosphere

3.2: 2 h / 30 °C / Inert atmosphere

3.3: Inert atmosphere; Saturated solution

4.1: acetic acid / water / 2 h / 40 °C / Inert atmosphere

4.2: Inert atmosphere

5.1: potassium carbonate / N,N-dimethyl-formamide / 5 h / 50 °C / Inert atmosphere

5.2: 5 h / 30 °C / Inert atmosphere

6.1: bis(tri-t-butylphosphine)palladium⁽⁰⁾ / 1-methyl-pyrrolidin-2-one / 1 h / 100 °C / Inert atmosphere

7.1: benzenesulfonic acid / ethanol; acetonitrile / 40 - 80 °C / Inert atmosphere

7.2: 20 °C / pH > 8 - < 10 / Inert atmosphere

7.3: 20 °C / Inert atmosphere

With bis(tri-t-butylphosphine)palladium⁽⁰⁾; lithium amide; potassium carbonate; acetic acid; benzenesulfonic acid; In 1-methyl-pyrrolidin-2-one; ethanol; water; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1016/j.bmc.2011.07.042

Reference yield:

: 1338930-83-8
4-tert-butyl 2-ethyl 3-amino-1-(2-bromo-5-fluorobenzyl)-5-{(3R)-3-[(tert-butoxycarbonyl)amino]piperidin-1-yl}-1H-pyrrole-2,4-dicarboxylate

: 894793-77-2
2-({6-[(3R)-3-amino-piperidin-1-yl]-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl}methyl)-4-fluorobenzonitrile hydrochloride

Guidance literature:: Multi-step reaction with 4 steps

1.1: acetic acid / water / 2 h / 40 °C / Inert atmosphere

1.2: Inert atmosphere

2.1: potassium carbonate / N,N-dimethyl-formamide / 5 h / 50 °C / Inert atmosphere

2.2: 5 h / 30 °C / Inert atmosphere

3.1: bis(tri-t-butylphosphine)palladium⁽⁰⁾ / 1-methyl-pyrrolidin-2-one / 1 h / 100 °C / Inert atmosphere

4.1: benzenesulfonic acid / ethanol; acetonitrile / 40 - 80 °C / Inert atmosphere

4.2: 20 °C / pH > 8 - < 10 / Inert atmosphere

4.3: 20 °C / Inert atmosphere

With bis(tri-t-butylphosphine)palladium⁽⁰⁾; potassium carbonate; acetic acid; benzenesulfonic acid; In 1-methyl-pyrrolidin-2-one; ethanol; water; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1016/j.bmc.2011.07.042