Benzoic acid, 4-[(2-methylpropyl)amino]-, methyl ester (9CI)

Base Information

• Chemical Name: Benzoic acid, 4-[(2-methylpropyl)amino]-, methyl ester (9CI)
• CAS No.: 516480-40-3
• Molecular Formula: C12H17NO2
• Molecular Weight: 207.272
• Mol file: 516480-40-3.mol

Synonyms:Benzoic acid, 4-[(2-methylpropyl)amino]-, methyl ester (9CI)

Chemical Property of Benzoic acid, 4-[(2-methylpropyl)amino]-, methyl ester (9CI)

Chemical Property:

• PSA: 38.33000
• LogP: 2.61410

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzoic acid, 4-[(2-methylpropyl)amino]-, methyl ester (9CI)

There total 5 articles about Benzoic acid, 4-[(2-methylpropyl)amino]-, methyl ester (9CI) 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: 94.0%

Methyl 4-chlorobenzoate (1126-46-1) + isobutylamine (78-81-9) → 4-isobutylaminobenzoic acid methyl ester (516480-40-3)

Guidance literature:

With potassium phosphate; palladium diacetate; (R)-(-)-1-[(S)-2-(dicyclohexylphosphino)ferrocenyl]ethyl di-t-butylphosphine; In 1,2-dimethoxyethane; at 110 ℃; for 24h;

DOI:10.1021/ja077074w

Reference yield: 93.0%

isobutyraldehyde (78-84-2) + 4-methoxycarbonyl aniline (619-45-4) → 4-isobutylaminobenzoic acid methyl ester (516480-40-3)

Guidance literature:

With phenylsilane; dibutyltin chloride; In tetrahydrofuran; at 100 ℃; for 0.116667h; microwave irradiation;

DOI:10.1021/ol0522844

Reference yield:

4-[2-Methyl-prop-(E)-ylideneamino]-benzoic acid methyl ester → 4-isobutylaminobenzoic acid methyl ester (516480-40-3)

Guidance literature:

With hydrogen; palladium on activated charcoal; In isopropyl alcohol; at 44.85 ℃; under 750.06 Torr; Kinetics;

DOI:10.1023/A:1020831913777

upstream raw materials:

isobutyraldehyde

4-methoxycarbonyl aniline

Methyl 4-chlorobenzoate

isobutylamine

Downstream raw materials:

methyl 4-(4-((((9H-fluoren-9-yl)methoxy)carbonyl)(propyl)amino)-N-isobutylbenzamido)benzoate

4-(4-(4-(benzylamino)-N-propylbenzamido)-N-isobutylbenzamido)benzoic acid

methyl 4-(4-(4-(benzylamino)-N-propylbenzamido)-N-isobutylbenzamido)benzoate

Refernces

• 1、 -. "SMALL MOLECULE INHIBITORS OF THE MCL-1 ONCOPROTEIN AND USES THEREOF". Paragraph 00358-00359. . Retrieved 2017/02/09.
• 2、 Campbell, Fred,Plante, Jeffrey,Carruthers, Christopher,Hardie, Michaele J.,Prior, Timothy J.,Wilson, Andrew J.. "Macrocyclic scaffolds derived from p-aminobenzoic acid". . p. 2240 - 2242. Retrieved 2008/01/01.