Methyl 3,4-diaMino-5-broMobenzoate

Base Information

• Chemical Name: Methyl 3,4-diaMino-5-broMobenzoate
• CAS No.: 1245643-11-1
• Molecular Formula: C8H9BrN2O2
• Molecular Weight: 245.076
• Hs Code.: 2922499990
• Mol file: 1245643-11-1.mol

Synonyms:3-Bromo-5-(methoxycarbonyl)benzene-1,2-diamine, 3-Bromo-5-(methoxycarbonyl)phenylene-1,2-diamine;Methyl 3-bromo-4,5-diaminobenzoate

Chemical Property of Methyl 3,4-diaMino-5-broMobenzoate

Chemical Property:

• Boiling Point: 402.5±40.0 °C(Predicted)
• PKA: 1.94±0.10(Predicted)
• PSA: 78.34000
• Density: 1.655±0.06 g/cm3(Predicted)
• LogP: 2.56250
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C

Purity/Quality:

99% ^*data from raw suppliers

Methyl3,4-diamino-5-bromobenzoate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-43
• Safety Statements: 36/37

MSDS Files:

Useful:

• Uses: Methyl 3,4-diamino-5-bromobenzoate

Technology Process of Methyl 3,4-diaMino-5-broMobenzoate

There total 1 articles about Methyl 3,4-diaMino-5-broMobenzoate 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: 95.0%

methyl 4-amino-3-bromo-5-nitrobenzoate (105655-17-2) → methyl 3,4-diamino-5-bromobenzoate (1245643-11-1)

Guidance literature:

With tin(II) chloride dihdyrate; In ethyl acetate; at 90 ℃; for 18h;

DOI:10.1021/acs.jmedchem.8b01225

Reference yield: 77.0%

methyl 3,4-diamino-5-bromobenzoate (1245643-11-1) + orthoformic acid triethyl ester (122-51-0) → methyl 7-bromo-1H-benzo[d]imidazole-5-carboxylate (1354756-19-6)

Guidance literature:

With toluene-4-sulfonic acid; In tetrahydrofuran; at 20 ℃; for 5h;

Reference yield: 65.0%

4-Trifluoromethylbenzaldehyde (455-19-6) + methyl 3,4-diamino-5-bromobenzoate (1245643-11-1) → methyl 4-bromo-2-(4-(trifluoromethyl)phenyl)-1H-benzo[d]imidazole-6-carboxylate

Guidance literature:

With sodium metabisulfite; In N,N-dimethyl-formamide; at 130 ℃; for 12h;

upstream raw materials:

methyl 4-amino-3-bromo-5-nitrobenzoate

Downstream raw materials:

methyl 7-bromo-1H-benzo[d]imidazole-5-carboxylate

Refernces

• 1、 -. "SUBSTITUTED PYRROLOPYRDINES AS INHIBITORS OF BROMODOMAIN". Page/Page column 111; 112. . Retrieved 2016/06/06.
• 2、 -. "N2-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS". Page/Page column 39; 40. . Retrieved 2011/06/16.