(S)-3-[1-tert-Butyl-7-(4-carbamimidoyl-phenylethynyl)-2,5-dioxo-1,2,3,5-tetrahydro-benzo[e][1,4]diazepin-4-yl]-butyric acid ethyl ester

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Chemical Name:(S)-3-[1-tert-Butyl-7-(4-carbamimidoyl-phenylethynyl)-2,5-dioxo-1,2,3,5-tetrahydro-benzo[e][1,4]diazepin-4-yl]-butyric acid ethyl ester
CAS No.:187938-83-6
Molecular Formula:C₂₈H₃₂N₄O₄
Molecular Weight:488.586
Hs Code.:

Synonyms:(S)-3-[1-tert-Butyl-7-(4-carbamimidoyl-phenylethynyl)-2,5-dioxo-1,2,3,5-tetrahydro-benzo[e][1,4]diazepin-4-yl]-butyric acid ethyl ester

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Chemical Property of (S)-3-[1-tert-Butyl-7-(4-carbamimidoyl-phenylethynyl)-2,5-dioxo-1,2,3,5-tetrahydro-benzo[e][1,4]diazepin-4-yl]-butyric acid ethyl ester

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Technology Process of (S)-3-[1-tert-Butyl-7-(4-carbamimidoyl-phenylethynyl)-2,5-dioxo-1,2,3,5-tetrahydro-benzo[e][1,4]diazepin-4-yl]-butyric acid ethyl ester

There total 11 articles about (S)-3-[1-tert-Butyl-7-(4-carbamimidoyl-phenylethynyl)-2,5-dioxo-1,2,3,5-tetrahydro-benzo[e][1,4]diazepin-4-yl]-butyric acid ethyl 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: 33.0%

: 187876-93-3
4-ethynylbenzamidine

: (S)-3-(1-tert-Butyl-7-iodo-2,5-dioxo-1,2,3,5-tetrahydro-benzo[e][1,4]diazepin-4-yl)-butyric acid ethyl ester

: 187938-83-6
(S)-3-[1-tert-Butyl-7-(4-carbamimidoyl-phenylethynyl)-2,5-dioxo-1,2,3,5-tetrahydro-benzo[e][1,4]diazepin-4-yl]-butyric acid ethyl ester

Guidance literature:: With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 50 - 60 ℃;
DOI:10.1021/jm960652r

Reference yield:

: 352-34-1
4-fluoro-1-iodobenzene

: 187938-83-6
(S)-3-[1-tert-Butyl-7-(4-carbamimidoyl-phenylethynyl)-2,5-dioxo-1,2,3,5-tetrahydro-benzo[e][1,4]diazepin-4-yl]-butyric acid ethyl ester

Guidance literature:: Multi-step reaction with 6 steps

1: 1.) LDA / 1.) THF, hexane, -78 deg C, 30 min, 2.) THF, hexane, Et₂O, from -78 deg C to 0 deg C

2: 1.) n-BuLi / 1.) THF, hexane, 0 deg C, 1 h, 2.) THF, hexane, -78 deg C, 20 min

3: 81 percent / diisopropylethylamine, benzotriazol-1-yloxytris(dimethylamino)-phosphonium hexafluorophosphate / CH₂Cl₂ / 0.25 h

4: 1 M potassium phosphate buffer / CH₂Cl₂ / 0 °C

5: 1,8-diazabicyclo<5.4.O>undec-7-ene / CH₂Cl₂ / 0.17 h / 25 °C

6: 33 percent / diisopropylethylamine, CuI, (PPh₃)2PdCl₂ / dimethylformamide / 50 - 60 °C

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; n-butyllithium; potassium phosphate buffer; (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; 1,8-diazabicyclo[5.4.0]undec-7-ene; N-ethyl-N,N-diisopropylamine; lithium diisopropyl amide; In dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/jm960652r

Reference yield:

: 623-00-7
4-bromobenzenecarbonitrile

: 187938-83-6
(S)-3-[1-tert-Butyl-7-(4-carbamimidoyl-phenylethynyl)-2,5-dioxo-1,2,3,5-tetrahydro-benzo[e][1,4]diazepin-4-yl]-butyric acid ethyl ester

Guidance literature:: Multi-step reaction with 6 steps

1: 96 percent / Et₃N, bis(triphenylphosphine)palladium dichloride, CuI / ethyl acetate; H₂O / 50 °C

2: 73 percent / H₂S, Et₃N, pyridine / 1.5 h / 50 °C

3: acetonitrile / 1.5 h / 50 °C

4: NH₄OAc / ethanol / 2.5 h / 50 °C

5: 90 percent / K₂CO₃ / methanol / 2 h

6: 33 percent / diisopropylethylamine, CuI, (PPh₃)2PdCl₂ / dimethylformamide / 50 - 60 °C

With pyridine; bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; hydrogen sulfide; ammonium acetate; potassium carbonate; triethylamine; N-ethyl-N,N-diisopropylamine; In methanol; ethanol; water; ethyl acetate; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1021/jm960652r