(C₅H₄N)2(C₅H₂N)C₆H₄NHC(O)CH₂CH₂(C₄NH)(CH₃)(C(O)OC(CH₃)3)C(O)NHC(NH)NHC(O)OC(CH₃)3

Base Information

• Chemical Name: (C₅H₄N)2(C₅H₂N)C₆H₄NHC(O)CH₂CH₂(C₄NH)(CH₃)(C(O)OC(CH₃)3)C(O)NHC(NH)NHC(O)OC(CH₃)3
• CAS No.: 1135134-66-5
• Molecular Formula: C₄₁H₄₄N₈O₆
• Molecular Weight: 744.85

Synonyms:(C₅H₄N)2(C₅H₂N)C₆H₄NHC(O)CH₂CH₂(C₄NH)(CH₃)(C(O)OC(CH₃)3)C(O)NHC(NH)NHC(O)OC(CH₃)3

Chemical Property of (C₅H₄N)2(C₅H₂N)C₆H₄NHC(O)CH₂CH₂(C₄NH)(CH₃)(C(O)OC(CH₃)3)C(O)NHC(NH)NHC(O)OC(CH₃)3

Chemical Property:

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Safty Information:

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Technology Process of (C₅H₄N)2(C₅H₂N)C₆H₄NHC(O)CH₂CH₂(C₄NH)(CH₃)(C(O)OC(CH₃)3)C(O)NHC(NH)NHC(O)OC(CH₃)3

There total 4 articles about (C₅H₄N)2(C₅H₂N)C₆H₄NHC(O)CH₂CH₂(C₄NH)(CH₃)(C(O)OC(CH₃)3)C(O)NHC(NH)NHC(O)OC(CH₃)3 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: 48.0%

3-(5-(tert-butoxycarbonyl)-2-(N-(tert-butoxycarbonyl)carbamimidoylcarbamoyl)-4-methyl-1H-pyrrol-3-yl)propanoic acid (1245792-37-3) + 4′-(4-amino-phenyl)-2,2′:6′,2′′-terpyridine (178265-65-1) → (C5H4N)2(C5H2N)C6H4NHC(O)CH2CH2(C4NH)(CH3)(C(O)OC(CH3)3)C(O)NHC(NH)NHC(O)OC(CH3)3 (1135134-66-5)

Guidance literature:

3-(5-(tert-butoxycarbonyl)-2-(N-(tert-butoxycarbonyl)carbamimidoylcarbamoyl)-4-methyl-1H-pyrrol-3-yl)propanoic acid; With 4-methyl-morpholine; HATU; In dichloromethane; N,N-dimethyl-formamide; at 20 ℃; for 2h;

4′-(4-amino-phenyl)-2,2′:6′,2′′-terpyridine; In dichloromethane; N,N-dimethyl-formamide; at 20 ℃; for 62h;

DOI:10.1021/ja200941a

Reference yield:

tert-butyl 5-(N-(tert-butoxycarbonyl)carbamimidoylcarbamoyl)-4-(3-methoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2-carboxylate (1262798-75-3) → (C5H4N)2(C5H2N)C6H4NHC(O)CH2CH2(C4NH)(CH3)(C(O)OC(CH3)3)C(O)NHC(NH)NHC(O)OC(CH3)3 (1135134-66-5)

Guidance literature:

Multi-step reaction with 2 steps

1.1: trimethyltin(IV) hydroxide / 1,2-dichloro-ethane / 24 h / Reflux

2.1: 4-methyl-morpholine; HATU / dichloromethane; N,N-dimethyl-formamide / 2 h / 20 °C

2.2: 62 h / 20 °C

With 4-methyl-morpholine; HATU; trimethyltin(IV) hydroxide; In dichloromethane; 1,2-dichloro-ethane; N,N-dimethyl-formamide;

DOI:10.1021/ja200941a

Reference yield:

tert-butyl carbamimidoylcarbamate (219511-71-4) → (C5H4N)2(C5H2N)C6H4NHC(O)CH2CH2(C4NH)(CH3)(C(O)OC(CH3)3)C(O)NHC(NH)NHC(O)OC(CH3)3 (1135134-66-5)

Guidance literature:

Multi-step reaction with 3 steps

1.1: dmap; 6-chloro-3-((dimethylamino)(dimethyliminio)methyl)-1H-benzo[d][1,2,3]triazol-3-ium-1-olatehexafluorophosphate(V) / dichloromethane; N,N-dimethyl-formamide / 2 h / 20 °C

1.2: 24 h / 20 °C

2.1: trimethyltin(IV) hydroxide / 1,2-dichloro-ethane / 24 h / Reflux

3.1: 4-methyl-morpholine; HATU / dichloromethane; N,N-dimethyl-formamide / 2 h / 20 °C

3.2: 62 h / 20 °C

With 4-methyl-morpholine; dmap; 6-chloro-3-((dimethylamino)(dimethyliminio)methyl)-1H-benzo[d][1,2,3]triazol-3-ium-1-olatehexafluorophosphate(V); HATU; trimethyltin(IV) hydroxide; In dichloromethane; 1,2-dichloro-ethane; N,N-dimethyl-formamide;

DOI:10.1021/ja200941a

upstream raw materials:

3-(5-(tert-butoxycarbonyl)-2-(N-(tert-butoxycarbonyl)carbamimidoylcarbamoyl)-4-methyl-1H-pyrrol-3-yl)propanoic acid

4′-(4-amino-phenyl)-2,2′:6′,2′′-terpyridine

tert-butyl 5-(N-(tert-butoxycarbonyl)carbamimidoylcarbamoyl)-4-(3-methoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2-carboxylate

benzyl 5-acetoxymethyl-3-(2-methoxycarbonylethyl)-4-methoxycarbonylmethylpyrrole-2-carboxylate

Downstream raw materials:

(C₅H₄N)2(C₅H₂N)C₆H₄NHC(O)CH₂CH₂(C₄NH)(CH₃)(C(O)OH)C(O)NHC(NH)NH₂

(C₅H₄N)2C₅H₂NC₆H₄NHCOCH₂CH₂C₄NH(CH₃)(COOH)CONHC(NH₂)2⁽¹⁺⁾*Cl^(1-)=[C₃₂H₂₉N₈O₄]Cl

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