N-(4-carbamimidoyl-phenyl)-N'-{1-[3-(5-chloro-thiophen-2-yl)-4-(tetrahydro-pyran-4-yloxy)-phenyl]-ethyl}-malonamide trifluoroacetate

Base Information

Chemical Name:N-(4-carbamimidoyl-phenyl)-N'-{1-[3-(5-chloro-thiophen-2-yl)-4-(tetrahydro-pyran-4-yloxy)-phenyl]-ethyl}-malonamide trifluoroacetate
CAS No.:1100768-36-2
Molecular Formula:C₂HF₃O₂*C₂₇H₂₉ClN₄O₄S
Molecular Weight:655.095
Hs Code.:

Synonyms:N-(4-carbamimidoyl-phenyl)-N'-{1-[3-(5-chloro-thiophen-2-yl)-4-(tetrahydro-pyran-4-yloxy)-phenyl]-ethyl}-malonamide trifluoroacetate

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Chemical Property of N-(4-carbamimidoyl-phenyl)-N'-{1-[3-(5-chloro-thiophen-2-yl)-4-(tetrahydro-pyran-4-yloxy)-phenyl]-ethyl}-malonamide trifluoroacetate

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Technology Process of N-(4-carbamimidoyl-phenyl)-N'-{1-[3-(5-chloro-thiophen-2-yl)-4-(tetrahydro-pyran-4-yloxy)-phenyl]-ethyl}-malonamide trifluoroacetate

There total 7 articles about N-(4-carbamimidoyl-phenyl)-N'-{1-[3-(5-chloro-thiophen-2-yl)-4-(tetrahydro-pyran-4-yloxy)-phenyl]-ethyl}-malonamide trifluoroacetate 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: 38.0%

: 1100768-39-5
1-[3-(5-chloro-thiophen-2-yl)-4-(tetrahydro-pyran-4-yloxy)-phenyl]-ethylamine

: 1100767-27-8
N-(4-carbamimidoyl-phenyl)-malonamic acid trifluoroacetate

: 76-05-1
trifluoroacetic acid

: 1100768-36-2
N-(4-carbamimidoyl-phenyl)-N'-{1-[3-(5-chloro-thiophen-2-yl)-4-(tetrahydro-pyran-4-yloxy)-phenyl]-ethyl}-malonamide trifluoroacetate

Guidance literature:: 1-[3-(5-chloro-thiophen-2-yl)-4-(tetrahydro-pyran-4-yloxy)-phenyl]-ethylamine; N-(4-carbamimidoyl-phenyl)-malonamic acid trifluoroacetate; With O-<[cyano(ethoxycarbonyl)methylene]amino>-1,1,3,3-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20 ℃; for 2h;

trifluoroacetic acid; In N,N-dimethyl-formamide;

Reference yield:

: 113117-17-2
ethyl 3-[(4-cyanophenyl)amino]-3-oxopropanoate

: 1100768-36-2
N-(4-carbamimidoyl-phenyl)-N'-{1-[3-(5-chloro-thiophen-2-yl)-4-(tetrahydro-pyran-4-yloxy)-phenyl]-ethyl}-malonamide trifluoroacetate

Guidance literature:: Multi-step reaction with 3 steps

1.1: hydroxylamine hydrochloride; triethylamine / ethanol / 20 h / 20 °C

2.1: ammonium formate / palladium 10% on activated carbon / acetic acid / 5 h / Heating / reflux

2.2: 4 h / 20 °C

3.1: O-<[cyano(ethoxycarbonyl)methylene]amino>-1,1,3,3-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 2 h / 20 °C

With O-<[cyano(ethoxycarbonyl)methylene]amino>-1,1,3,3-tetramethyluronium tetrafluoroborate; hydroxylamine hydrochloride; ammonium formate; triethylamine; N-ethyl-N,N-diisopropylamine; palladium 10% on activated carbon; In ethanol; acetic acid; N,N-dimethyl-formamide;

Reference yield:

: 870777-29-0
(5-acetyl-2-fluorophenyl)boronic acid

: 1100768-36-2
N-(4-carbamimidoyl-phenyl)-N'-{1-[3-(5-chloro-thiophen-2-yl)-4-(tetrahydro-pyran-4-yloxy)-phenyl]-ethyl}-malonamide trifluoroacetate

Guidance literature:: Multi-step reaction with 4 steps

1.1: sodium carbonate / tetrakis(triphenylphosphine) palladium⁽⁰⁾ / water; acetonitrile / 3 h / Heating / reflux

2.1: sodium hydride / dimethyl sulfoxide / 0.5 h / 0 - 10 °C

2.2: 1 h / 20 °C

3.1: ammonium acetate; sodium cyanoborohydride / methanol / 6 h / Heating / reflux

4.1: O-<[cyano(ethoxycarbonyl)methylene]amino>-1,1,3,3-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 2 h / 20 °C

With O-<[cyano(ethoxycarbonyl)methylene]amino>-1,1,3,3-tetramethyluronium tetrafluoroborate; ammonium acetate; sodium hydride; sodium cyanoborohydride; sodium carbonate; N-ethyl-N,N-diisopropylamine; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In methanol; water; dimethyl sulfoxide; N,N-dimethyl-formamide; acetonitrile;