Benzoic acid, 4-[[[(1,1-dimethylethoxy)carbonyl]methylamino]methyl]-

Base Information

• Chemical Name: Benzoic acid, 4-[[[(1,1-dimethylethoxy)carbonyl]methylamino]methyl]-
• CAS No.: 210963-04-5
• Molecular Formula: C14H19NO4
• Molecular Weight: 265.309
• Hs Code.: 2924299090
• Mol file: 210963-04-5.mol

Synonyms:4-(N-t-butoxycarbonyl-N-methylamino)methylbenzoic acid;4-((tert-butoxycarbonyl(methyl)amino)methyl)benzoic acid;

Chemical Property of Benzoic acid, 4-[[[(1,1-dimethylethoxy)carbonyl]methylamino]methyl]-

Chemical Property:

• Boiling Point: 402.9±34.0 °C(Predicted)
• PKA: 4.28±0.10(Predicted)
• PSA: 66.84000
• Density: 1.163±0.06 g/cm3(Predicted)
• LogP: 2.75170
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

97% ^*data from raw suppliers

4-(((tert-Butoxycarbonyl)(methyl)amino)methyl)benzoicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzoic acid, 4-[[[(1,1-dimethylethoxy)carbonyl]methylamino]methyl]-

There total 3 articles about Benzoic acid, 4-[[[(1,1-dimethylethoxy)carbonyl]methylamino]methyl]- 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: 87.0%

4-(tert-Butoxycarbonylaminomethyl)benzoic acid (33233-67-9) + methyl iodide (74-88-4) → 4-((tert-butoxycarbonyl(methyl)amino)methyl)benzoic acid (210963-04-5)

Guidance literature:

4-(tert-Butoxycarbonylaminomethyl)benzoic acid; With sodium hydride; In tetrahydrofuran; at 20 ℃; for 0.5h;

methyl iodide; In tetrahydrofuran; at 20 ℃; for 40h;

DOI:10.1002/chem.200500901

Reference yield: 75.0%

4-(N-t-butyloxycarbonyl-N-methylaminomethyl)benzoic acid methyl ester → 4-((tert-butoxycarbonyl(methyl)amino)methyl)benzoic acid (210963-04-5)

Guidance literature:

4-(N-t-butyloxycarbonyl-N-methylaminomethyl)benzoic acid methyl ester; With sodium hydroxide; water; In ethanol; at 25 ℃; for 16h;

With hydrogenchloride; In water; pH=< 7;

Reference yield:

4-(tert-Butoxycarbonylaminomethyl)benzoic acid (33233-67-9) → 4-((tert-butoxycarbonyl(methyl)amino)methyl)benzoic acid (210963-04-5)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium hydride / N,N-dimethyl-formamide; mineral oil / 0 - 25 °C

1.2: 16 h / 25 °C

2.1: water; sodium hydroxide / ethanol / 16 h / 25 °C

With water; sodium hydride; sodium hydroxide; In ethanol; N,N-dimethyl-formamide; mineral oil;

upstream raw materials:

4-(tert-Butoxycarbonylaminomethyl)benzoic acid

methyl iodide

Downstream raw materials:

tert-butyl 4-((R)-3-((S)-4-acetamido-1-(6-chloro-3'-ethylbiphenyl-2-yl)-1-hydroxybutyl)piperidine-1-carbonyl)benzyl(methyl)carbamate

tert-butyl 4-(2-(3-amino-6-bromopyrazine-2-carbonyl)hydrazinecarbonyl)benzyl(methyl)carbamate

1,1-dimethylethyl {[4-({(3R)-3-[4-(acetylamino)-1-(6-chloro-3'-ethyl-2-biphenylyl)-1-hydroxybutyl]-1-piperidinyl}carbonyl)phenyl]methyl}methylcarbamate

methyl (S)-4-(6-chloro-3'-ethylbiphenyl-2-yl)-4-hydroxy-4-((R)-1-(4-(((N-t-butoxycarbonyl-N-methyl)amino)methyl)benzoyl)piperidin-3-yl)butylcarbamate