CarbaMic acid, N-(4-broMo-2-nitrophenyl)-, 1,1-diMethylethyl ester

Base Information

• Chemical Name: CarbaMic acid, N-(4-broMo-2-nitrophenyl)-, 1,1-diMethylethyl ester
• CAS No.: 327046-79-7
• Molecular Formula: C11H13BrN2O4
• Molecular Weight: 317.139
• Hs Code.: 2924299090
• Mol file: 327046-79-7.mol

Synonyms:N-Boc-4-bromo-2-nitroaniline;

Chemical Property of CarbaMic acid, N-(4-broMo-2-nitrophenyl)-, 1,1-diMethylethyl ester

Chemical Property:

• Boiling Point: 337.8±32.0 °C(Predicted)
• PKA: 11.70±0.70(Predicted)
• PSA: 87.64000
• Density: 1.535±0.06 g/cm3(Predicted)
• LogP: 4.24110
• Storage Temp.: 2-8°C
• Solubility.: Chloroform, Dichloromethane, Methanol

Purity/Quality:

99% ^*data from raw suppliers

N-(4-Bromo-2-nitrophenyl)carbamicAcidtert-ButylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: tert-butyl N-(4-bromo-2-nitrophenyl)carbamate is a reactant used in the optimization of selective HDAC1/HDAC2 inhibitor and preparation of selective HDAC inhibitors.

Technology Process of CarbaMic acid, N-(4-broMo-2-nitrophenyl)-, 1,1-diMethylethyl ester

There total 7 articles about CarbaMic acid, N-(4-broMo-2-nitrophenyl)-, 1,1-diMethylethyl 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: 99.0%

di-tert-butyl dicarbonate (24424-99-5) + 4-Bromo-2-nitroaniline (875-51-4) → tert-butyl (4-bromo-2-nitrophenyl)carbamate (327046-79-7)

Guidance literature:

di-tert-butyl dicarbonate; 4-Bromo-2-nitroaniline; With dmap; In tetrahydrofuran; at 20 ℃; for 48h; Inert atmosphere;

With sodium hydroxide; In tetrahydrofuran; water; at 70 ℃; for 15h; Inert atmosphere;

DOI:10.1080/14756366.2021.1941920

Reference yield: 82.8%

N-(4-bromo-2-nitrophenyl)-N-tert-butoxycarbonylcarbamic acid tert-butyl ester (1228392-59-3) → tert-butyl (4-bromo-2-nitrophenyl)carbamate (327046-79-7)

Guidance literature:

With potassium carbonate; In acetonitrile; at 35 ℃; for 1.5h;

Reference yield: 74.0%

→ tert-butyl (4-bromo-2-nitrophenyl)carbamate (327046-79-7)

Guidance literature:

With dmap; lithium hexamethyldisilazane; In tetrahydrofuran; at 0 ℃;

upstream raw materials:

N-(4-bromo-2-nitrophenyl)-N-tert-butoxycarbonylcarbamic acid tert-butyl ester

di-tert-butyl dicarbonate

4-Bromo-2-nitroaniline

tert-butyl (4-bromophenyl)carbamate

Downstream raw materials:

tert-butyl 2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenylcarbamate

tert-butyl (2-nitro-4-(thiophen-2-yl) phenyl)carbamate

6-(4-fluorophenyl)-3-(imidazo[1,2-a]pyridin-3-yl)-2-methylquinoxaline

7-(4-fluorophenyl)-2-(2-methylimidazo[1,2-b]pyridazin-3-yl)quinoxaline

Refernces

• 1、 La, Minh Thanh,Jeong, Byung-Hoon,Kim, Hee-Kwon. "Design and Synthesis of Novel N-(2-aminophenyl)benzamide Derivatives as Histone Deacetylase Inhibitors and Their Antitumor Activity Study". supporting information. p. 740 - 743. Retrieved 2021/03/16.
• 2、 -. "PHENYL-SULFAMOYL.BENZOYC ACIDS AS ERAP1 MODULATORS". Page/Page column 93; 347-348. . Retrieved 2020/11/23.