N-(2-tert-ButoxycarbonylaMino-ethyl)-isophthalaMic acid Methyl ester

Base Information

• Chemical Name: N-(2-tert-ButoxycarbonylaMino-ethyl)-isophthalaMic acid Methyl ester
• CAS No.: 174665-22-6
• Molecular Formula: C16H22N2O5
• Molecular Weight: 322.361
• Mol file: 174665-22-6.mol

Synonyms:N-(2-tert-ButoxycarbonylaMino-ethyl)-isophthalaMic acid Methyl ester;methyl 3-((2-(tert-butoxycarbonylamino)ethyl)carbamoyl)benzoate

Chemical Property of N-(2-tert-ButoxycarbonylaMino-ethyl)-isophthalaMic acid Methyl ester

Chemical Property:

• PSA: 93.73000
• LogP: 2.50950

Purity/Quality:

98% ^*data from raw suppliers

N-(2-tert-Butoxycarbonylamino-ethyl)-isophthalamicacidmethylester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of N-(2-tert-ButoxycarbonylaMino-ethyl)-isophthalaMic acid Methyl ester

There total 2 articles about N-(2-tert-ButoxycarbonylaMino-ethyl)-isophthalaMic acid Methyl 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: 94.0%

N-BOC-1,2-diaminoethane (57260-73-8) + benzene 1,3-dicarboxylic acid monomethyl ester (1877-71-0) → methyl 3-[(2-tert-butoxycarbonylamino)ethylcarbamoyl]benzoic acid ester (174665-22-6)

Guidance literature:

benzene 1,3-dicarboxylic acid monomethyl ester; With N-ethyl-N,N-diisopropylamine; HATU; In N,N-dimethyl-formamide; at 20 ℃; for 0.166667h;

N-BOC-1,2-diaminoethane; In N,N-dimethyl-formamide; at 20 ℃; for 2.5h;

Reference yield:

N-BOC-1,2-diaminoethane (57260-73-8) + benzene 1,3-dicarboxylic acid monomethyl ester (1877-71-0) + triethylamine (121-44-8) → methyl 3-[(2-tert-butoxycarbonylamino)ethylcarbamoyl]benzoic acid ester (174665-22-6)

Guidance literature:

With potassium hydrogensulfate; benzotriazol-1-ol; 1,2-dichloro-ethane; In water; N,N-dimethyl-formamide;

Reference yield: 100.0%

methyl 3-[(2-tert-butoxycarbonylamino)ethylcarbamoyl]benzoic acid ester (174665-22-6) → 3-((2-((tert-butoxycarbonyl)amino)ethyl)carbamoyl)benzoic acid (909899-73-6)

Guidance literature:

methyl 3-[(2-tert-butoxycarbonylamino)ethylcarbamoyl]benzoic acid ester; With lithium hydroxide monohydrate; In methanol; water; at 0 - 20 ℃; for 5h;

With citric acid; In dichloromethane; water; pH=2 - 3;

DOI:10.1002/anie.201303999

upstream raw materials:

N-BOC-1,2-diaminoethane

benzene 1,3-dicarboxylic acid monomethyl ester

triethylamine

Downstream raw materials:

3-((2-((tert-butoxycarbonyl)amino)ethyl)carbamoyl)benzoic acid

2-{3-[(2-tert-butoxycarbonylamino)ethylcarbamoyl]benzenecarbonylamino}-6-(trans-2-phenylcyclopropan-1-amino)-N-benzylhexanamide hydrochloride

Refernces

• 1、 -. "THIENO[3,2-D]PYRIMIDINE-6-CARBOXAMIDES AND ANALOGUES AS SIRTUIN MODULATORS". Page/Page column 102; 103. . Retrieved 2014/09/29.
• 2、 -. "Crystalline forms of a biphenyl compound". Page/Page column 14-15. . Retrieved 2010/11/30.