Acetic acid (S)-4-benzyl-3,6,9,12,15,18-hexaoxo-2,5,8,11,14,17-hexaaza-bicyclo[17.3.1]tricosa-1⁽²³⁾,19,21-trien-20-ylmethyl ester

Base Information

• Chemical Name: Acetic acid (S)-4-benzyl-3,6,9,12,15,18-hexaoxo-2,5,8,11,14,17-hexaaza-bicyclo[17.3.1]tricosa-1⁽²³⁾,19,21-trien-20-ylmethyl ester
• CAS No.: 129229-76-1
• Molecular Formula: C₂₇H₃₀N₆O₈
• Molecular Weight: 566.571

Synonyms:Acetic acid (S)-4-benzyl-3,6,9,12,15,18-hexaoxo-2,5,8,11,14,17-hexaaza-bicyclo[17.3.1]tricosa-1⁽²³⁾,19,21-trien-20-ylmethyl ester

Chemical Property of Acetic acid (S)-4-benzyl-3,6,9,12,15,18-hexaoxo-2,5,8,11,14,17-hexaaza-bicyclo[17.3.1]tricosa-1⁽²³⁾,19,21-trien-20-ylmethyl ester

Chemical Property:

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Technology Process of Acetic acid (S)-4-benzyl-3,6,9,12,15,18-hexaoxo-2,5,8,11,14,17-hexaaza-bicyclo[17.3.1]tricosa-1⁽²³⁾,19,21-trien-20-ylmethyl ester

There total 13 articles about Acetic acid (S)-4-benzyl-3,6,9,12,15,18-hexaoxo-2,5,8,11,14,17-hexaaza-bicyclo[17.3.1]tricosa-1⁽²³⁾,19,21-trien-20-ylmethyl 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: 75.0%

potassium acetate (127-08-2) + (S)-4-Benzyl-20-bromomethyl-2,5,8,11,14,17-hexaaza-bicyclo[17.3.1]tricosa-1(23),19,21-triene-3,6,9,12,15,18-hexaone (129229-67-0) → Acetic acid (S)-4-benzyl-3,6,9,12,15,18-hexaoxo-2,5,8,11,14,17-hexaaza-bicyclo[17.3.1]tricosa-1(23),19,21-trien-20-ylmethyl ester (129229-76-1)

Guidance literature:

In N,N-dimethyl-formamide; Ambient temperature;

DOI:10.1016/0223-5234(91)90119-8

Reference yield:

5-nitro-o-toluic acid (1975-52-6) → Acetic acid (S)-4-benzyl-3,6,9,12,15,18-hexaoxo-2,5,8,11,14,17-hexaaza-bicyclo[17.3.1]tricosa-1(23),19,21-trien-20-ylmethyl ester (129229-76-1)

Guidance literature:

Multi-step reaction with 14 steps

1: AcCl / Heating

2: N-bromosuccinimide (NBS), benzoyl peroxide / CCl₄ / 20 h / Heating

3: NaOH, tricaprylmethylammonium chloride / CH₂Cl₂; H₂O / 5 h / Ambient temperature

4: 82 percent / aq. 4 N KOH / methanol / 4 h / Ambient temperature

5: SOCl₂, DMF / 3 h / Ambient temperature

6: Et₃N / dimethylformamide / 1.) 0 deg C, 1 h, 2.) RT, 2 h

7: H₂ / PtO₂ / dimethylformamide; H₂O / 2 h / Ambient temperature

8: dicyclohexylcarbodiimide (DCC) / dimethylformamide; CH₂Cl₂ / 0 - 20 °C

9: 89 percent / H₂NNH₂*H₂O / methanol / 24 h / Ambient temperature

10: 96 percent / 2 M HCl / acetic acid / 0.5 h / Ambient temperature

11: 8 N HCl, isoamylnitrite / dimethylformamide; tetrahydrofuran / 0.5 h / -40 °C

12: iPr₂NEt / dimethylformamide / 24 h / pH 9

13: 71 percent / 33percent HBr / acetic acid / 1 h / Ambient temperature

14: 75 percent / dimethylformamide / Ambient temperature

With hydrogenchloride; potassium hydroxide; sodium hydroxide; N-Bromosuccinimide; thionyl chloride; Perbenzoic acid; hydrogen bromide; hydrogen; Aliquat 336; hydrazine hydrate; triethylamine; N-ethyl-N,N-diisopropylamine; acetyl chloride; N,N-dimethyl-formamide; dicyclohexyl-carbodiimide; isopentyl nitrite; platinum(IV) oxide; In tetrahydrofuran; methanol; tetrachloromethane; dichloromethane; water; acetic acid; N,N-dimethyl-formamide;

DOI:10.1016/0223-5234(91)90119-8

Reference yield:

methyl 2-methyl-5-nitrobenzoate (77324-87-9) → Acetic acid (S)-4-benzyl-3,6,9,12,15,18-hexaoxo-2,5,8,11,14,17-hexaaza-bicyclo[17.3.1]tricosa-1(23),19,21-trien-20-ylmethyl ester (129229-76-1)

Guidance literature:

Multi-step reaction with 13 steps

1: N-bromosuccinimide (NBS), benzoyl peroxide / CCl₄ / 20 h / Heating

2: NaOH, tricaprylmethylammonium chloride / CH₂Cl₂; H₂O / 5 h / Ambient temperature

3: 82 percent / aq. 4 N KOH / methanol / 4 h / Ambient temperature

4: SOCl₂, DMF / 3 h / Ambient temperature

5: Et₃N / dimethylformamide / 1.) 0 deg C, 1 h, 2.) RT, 2 h

6: H₂ / PtO₂ / dimethylformamide; H₂O / 2 h / Ambient temperature

7: dicyclohexylcarbodiimide (DCC) / dimethylformamide; CH₂Cl₂ / 0 - 20 °C

8: 89 percent / H₂NNH₂*H₂O / methanol / 24 h / Ambient temperature

9: 96 percent / 2 M HCl / acetic acid / 0.5 h / Ambient temperature

10: 8 N HCl, isoamylnitrite / dimethylformamide; tetrahydrofuran / 0.5 h / -40 °C

11: iPr₂NEt / dimethylformamide / 24 h / pH 9

12: 71 percent / 33percent HBr / acetic acid / 1 h / Ambient temperature

13: 75 percent / dimethylformamide / Ambient temperature

With hydrogenchloride; potassium hydroxide; sodium hydroxide; N-Bromosuccinimide; thionyl chloride; Perbenzoic acid; hydrogen bromide; hydrogen; Aliquat 336; hydrazine hydrate; triethylamine; N-ethyl-N,N-diisopropylamine; N,N-dimethyl-formamide; dicyclohexyl-carbodiimide; isopentyl nitrite; platinum(IV) oxide; In tetrahydrofuran; methanol; tetrachloromethane; dichloromethane; water; acetic acid; N,N-dimethyl-formamide;

DOI:10.1016/0223-5234(91)90119-8

upstream raw materials:

potassium acetate

(S)-4-Benzyl-20-bromomethyl-2,5,8,11,14,17-hexaaza-bicyclo[17.3.1]tricosa-1⁽²³⁾,19,21-triene-3,6,9,12,15,18-hexaone

5-nitro-o-toluic acid

methyl 2-methyl-5-nitrobenzoate

Downstream raw materials:

(S)-4-Benzyl-20-hydroxymethyl-2,5,8,11,14,17-hexaaza-bicyclo[17.3.1]tricosa-1⁽²³⁾,19,21-triene-3,6,9,12,15,18-hexaone

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