Methyl 4-(N-(tert-butoxycarbonyl)carbamimidoyl)benzoate

Base Information

• Chemical Name: Methyl 4-(N-(tert-butoxycarbonyl)carbamimidoyl)benzoate
• CAS No.: 135321-84-5
• Molecular Formula: C14H18N2O4
• Molecular Weight: 278.308
• Hs Code.: 2925290090
• Mol file: 135321-84-5.mol

Synonyms:Methyl 4-(N-(tert-butoxycarbonyl)carbaMiMidoyl)benzoate;Methyl-4- (N-BOC-aMidino) benzoate

Chemical Property of Methyl 4-(N-(tert-butoxycarbonyl)carbamimidoyl)benzoate

Chemical Property:

• PKA: 9.73±0.46(Predicted)
• PSA: 90.98000
• Density: 1.15±0.1 g/cm3(Predicted)
• LogP: 2.81390
• Storage Temp.: 2-8°C

Purity/Quality:

99%,mixture of isomers ^*data from raw suppliers

Methyl4-(N-(tert-butoxycarbonyl)carbamimidoyl)benzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Methyl 4-(N-(tert-butoxycarbonyl)carbamimidoyl)benzoate

There total 5 articles about Methyl 4-(N-(tert-butoxycarbonyl)carbamimidoyl)benzoate 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: 77.0%

di-tert-butyl dicarbonate (24424-99-5) + methyl 4-(N-carbamimidoyl)benzoate (50466-15-4) → methyl 4-(N-{[(2-methyl-2-propanyl)oxy]carbonyl}carbamimidoyl)benzoate (135321-84-5)

Guidance literature:

With triethylamine; In methanol; at 40 ℃; for 5h; Inert atmosphere;

Reference yield: 77.0%

di-tert-butyl dicarbonate (24424-99-5) + methyl 4-amidinobenzoate acetate → methyl 4-(N-{[(2-methyl-2-propanyl)oxy]carbonyl}carbamimidoyl)benzoate (135321-84-5)

Guidance literature:

With triethylamine; In methanol; at 40 ℃; for 4h;

DOI:10.1021/ja101879g

Reference yield:

4-(N-hydroxycarbamimidoyl)-benzoic acid methyl ester (184778-33-4,65695-05-8) → methyl 4-(N-{[(2-methyl-2-propanyl)oxy]carbonyl}carbamimidoyl)benzoate (135321-84-5)

Guidance literature:

Multi-step reaction with 2 steps

1: acetic anhydride; hydrogen / palladium 10% on activated carbon / methanol / 24 h

2: triethylamine / dichloromethane / 96 h / 20 °C

With hydrogen; acetic anhydride; triethylamine; palladium 10% on activated carbon; In methanol; dichloromethane;

upstream raw materials:

di-tert-butyl dicarbonate

4-amidinobenzoic acid methyl ester hydrochloride

4-cyanobenzoic acid methyl ester

4-(N-hydroxycarbamimidoyl)-benzoic acid methyl ester

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