Benzoic acid, 2,4-dihydroxy-5-nitro-, methyl ester (9CI)

Base Information

• Chemical Name: Benzoic acid, 2,4-dihydroxy-5-nitro-, methyl ester (9CI)
• CAS No.: 271261-71-3
• Molecular Formula: C8H7 N O6
• Molecular Weight: 213.147
• Hs Code.: 2918199090
• Mol file: 271261-71-3.mol

Synonyms:Benzoic acid, 2,4-dihydroxy-5-nitro-, methyl ester (9CI)

Chemical Property of Benzoic acid, 2,4-dihydroxy-5-nitro-, methyl ester (9CI)

Chemical Property:

• Melting Point: 168.5 °C
• Boiling Point: 433.3±25.0 °C(Predicted)
• PKA: 5.45±0.27(Predicted)
• PSA: 112.58000
• Density: 1.566±0.06 g/cm3(Predicted)
• LogP: 1.31580
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C

Purity/Quality:

99% ^*data from raw suppliers

Methyl2,4-Dihydroxy-5-nitrobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzoic acid, 2,4-dihydroxy-5-nitro-, methyl ester (9CI)

There total 5 articles about Benzoic acid, 2,4-dihydroxy-5-nitro-, 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: 81.1%

methanol (67-56-1) + 2,4-dihydroxy-5-nitrobenzoic acid (13722-96-8) → 2,4-dihydroxy-5-nitro-benzoic acid methyl ester (271261-71-3)

Guidance literature:

With sulfuric acid; for 48h; Heating;

DOI:10.1021/jo050798a

Reference yield: 35.0%

methyl 2,4-dihydroxybenzoate (2150-47-2) → 2,4-dihydroxy-3-nitrobenzoic acid methyl ester (956105-56-9) + 2,4-dihydroxy-5-nitro-benzoic acid methyl ester (271261-71-3)

Guidance literature:

With nitric acid; acetic anhydride; In acetic acid; at 0 - 22 ℃;

DOI:10.1055/s-2007-983843

Reference yield:

methyl 2,4-dihydroxybenzoate (2150-47-2) → 2,4-dihydroxy-5-nitro-benzoic acid methyl ester (271261-71-3)

Guidance literature:

With nitric acid;

upstream raw materials:

methanol

2,4-dihydroxy-5-nitrobenzoic acid

methyl 2,4-dihydroxybenzoate

4-hydroxysalicylic acid

Refernces

• 1、 Ferrand, Yann,Gong, Bing,Huc, Ivan,Kauffmann, Brice,Liu, Rui,Lu, Zhong-Lin,Xu, Wenwu,Zeng, Xiao Cheng,Zhong, Yulong. "Multiturn Hollow Helices: Synthesis and Folding of Long Aromatic Oligoamides". supporting information. p. 6938 - 6942. Retrieved 2020/09/15.
• 2、 -. "IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF". Page/Page column 42-43. . Retrieved 2020/08/22.