C₃₁H₂₁Cl₂N₃O₄

Base Information

• Chemical Name: C₃₁H₂₁Cl₂N₃O₄
• CAS No.: 405519-88-2
• Molecular Formula: C₃₁H₂₁Cl₂N₃O₄
• Molecular Weight: 570.431

Synonyms:C₃₁H₂₁Cl₂N₃O₄

Chemical Property of C₃₁H₂₁Cl₂N₃O₄

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
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Technology Process of C₃₁H₂₁Cl₂N₃O₄

There total 18 articles about C₃₁H₂₁Cl₂N₃O₄ 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: 73.0%

C31H23N3O4 (405519-85-9) → C31H21Cl2N3O4 (405519-88-2)

Guidance literature:

With N-chloro-succinimide; In tetrahydrofuran; tetrachloromethane; at 55 ℃; for 8h;

DOI:10.1002/1521-3773(20011217)40:24<4705::AID-ANIE4705>3.0.CO;2-D

Reference yield:

2-hydroxybromobenzene (95-56-7) → C31H21Cl2N3O4 (405519-88-2)

Guidance literature:

Multi-step reaction with 15 steps

1.1: 42 percent / aq. H₂SO₄ / 45 h / Heating

2.1: Et₃N / CH₂Cl₂ / 1 h / 0 °C

3.1: Yb(OTf)3 / tetrahydrofuran; H₂O / 24 h / 25 °C

4.1: 95 percent / imidazole / dimethylformamide / 6 h / 25 °C

5.1: 95 percent / LiBH₄ / tetrahydrofuran / 4 h / 25 °C

6.1: 95 percent / 1,1'-carbonyldiimidazole / tetrahydrofuran / 2 h / Heating

7.1: 70 percent / KOAc / [Pd(dppf)Cl₂]*CH₂Cl₂ / dimethylsulfoxide / 6 h / 90 °C

8.1: 66 percent / K₂CO₃ / [Pd(dppf)Cl₂]*CH₂Cl₂ / 1,2-dimethoxy-ethane / 8 h / 110 °C

9.1: 93 percent / TBAF / tetrahydrofuran / 0.17 h / 25 °C

10.1: 88 percent / Dess-Martin periodinane; NaHCO₃ / CH₂Cl₂ / 1 h / 25 °C

11.1: 91 percent / dimethylsulfoxide / 0.17 h / 25 °C

12.1: SmI₂ / hexamethylphosphoric acid triamide; tetrahydrofuran / 1 h / 25 °C

12.2: aq. NH₄Cl / hexamethylphosphoric acid triamide; tetrahydrofuran / 1 h / 25 °C

12.3: 25 percent / HOBt; EDC / dimethylformamide / 4 h / 25 °C

13.1: 94 percent / Dess-Martin periodinane; NaHCO₃ / CH₂Cl₂ / 15 h / 25 °C

14.1: POCl₃ / 2 h / 70 °C

15.1: 73 percent / NCS / tetrahydrofuran; CCl₄ / 8 h / 55 °C

With 1H-imidazole; N-chloro-succinimide; lithium borohydride; samarium diiodide; sulfuric acid; tetrabutyl ammonium fluoride; potassium acetate; sodium hydrogencarbonate; potassium carbonate; Dess-Martin periodane; triethylamine; 1,1'-carbonyldiimidazole; ytterbium(III) triflate; trichlorophosphate; [1,1'-bis(diphenylphosphino)-ferrocene]palladium(II) chloride-dichlormethane complex; In tetrahydrofuran; tetrachloromethane; N,N,N,N,N,N-hexamethylphosphoric triamide; 1,2-dimethoxyethane; dichloromethane; water; dimethyl sulfoxide; N,N-dimethyl-formamide; 10.1: Dess-Martin oxidation / 13.1: Dess-Martin oxidation;

DOI:10.1002/1521-3773(20011217)40:24<4705::AID-ANIE4705>3.0.CO;2-D

Reference yield:

MANDELIC ACID (611-71-2,611-72-3,17199-29-0,90-64-2) → C31H21Cl2N3O4 (405519-88-2)

Guidance literature:

Multi-step reaction with 15 steps

1.1: 42 percent / aq. H₂SO₄ / 45 h / Heating

2.1: Et₃N / CH₂Cl₂ / 1 h / 0 °C

3.1: Yb(OTf)3 / tetrahydrofuran; H₂O / 24 h / 25 °C

4.1: 95 percent / imidazole / dimethylformamide / 6 h / 25 °C

5.1: 95 percent / LiBH₄ / tetrahydrofuran / 4 h / 25 °C

6.1: 95 percent / 1,1'-carbonyldiimidazole / tetrahydrofuran / 2 h / Heating

7.1: 70 percent / KOAc / [Pd(dppf)Cl₂]*CH₂Cl₂ / dimethylsulfoxide / 6 h / 90 °C

8.1: 66 percent / K₂CO₃ / [Pd(dppf)Cl₂]*CH₂Cl₂ / 1,2-dimethoxy-ethane / 8 h / 110 °C

9.1: 93 percent / TBAF / tetrahydrofuran / 0.17 h / 25 °C

10.1: 88 percent / Dess-Martin periodinane; NaHCO₃ / CH₂Cl₂ / 1 h / 25 °C

11.1: 91 percent / dimethylsulfoxide / 0.17 h / 25 °C

12.1: SmI₂ / hexamethylphosphoric acid triamide; tetrahydrofuran / 1 h / 25 °C

12.2: aq. NH₄Cl / hexamethylphosphoric acid triamide; tetrahydrofuran / 1 h / 25 °C

12.3: 25 percent / HOBt; EDC / dimethylformamide / 4 h / 25 °C

13.1: 94 percent / Dess-Martin periodinane; NaHCO₃ / CH₂Cl₂ / 15 h / 25 °C

14.1: POCl₃ / 2 h / 70 °C

15.1: 73 percent / NCS / tetrahydrofuran; CCl₄ / 8 h / 55 °C

With 1H-imidazole; N-chloro-succinimide; lithium borohydride; samarium diiodide; sulfuric acid; tetrabutyl ammonium fluoride; potassium acetate; sodium hydrogencarbonate; potassium carbonate; Dess-Martin periodane; triethylamine; 1,1'-carbonyldiimidazole; ytterbium(III) triflate; trichlorophosphate; [1,1'-bis(diphenylphosphino)-ferrocene]palladium(II) chloride-dichlormethane complex; In tetrahydrofuran; tetrachloromethane; N,N,N,N,N,N-hexamethylphosphoric triamide; 1,2-dimethoxyethane; dichloromethane; water; dimethyl sulfoxide; N,N-dimethyl-formamide; 10.1: Dess-Martin oxidation / 13.1: Dess-Martin oxidation;

DOI:10.1002/1521-3773(20011217)40:24<4705::AID-ANIE4705>3.0.CO;2-D

upstream raw materials:

C₃₁H₂₃N₃O₄

2-hydroxybromobenzene

MANDELIC ACID

7-Bromo-3-phenyl-3H-benzofuran-2-one

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