Methyl 3-hydroxy-2-nitrobenzoate

Base Information

• Chemical Name: Methyl 3-hydroxy-2-nitrobenzoate
• CAS No.: 89942-77-8
• Molecular Formula: C8H7NO5
• Molecular Weight: 197.147
• Hs Code.: 2918290000
• European Community (EC) Number: 810-595-6
• DSSTox Substance ID: DTXSID90546028
• Nikkaji Number: J1.485.308A
• Wikidata: Q72491418
• Mol file: 89942-77-8.mol

Synonyms:METHYL 3-HYDROXY-2-NITROBENZOATE;89942-77-8;3-hydroxy-2-nitro-benzoic acid methyl ester;MFCD09951956;methyl3-hydroxy-2-nitrobenzoate;Benzoic acid, 3-hydroxy-2-nitro-, methyl ester;3-hydroxy-2-nitrobenzoic acid methyl ester;SCHEMBL206164;DTXSID90546028;FHCNMPYMCKHBTK-UHFFFAOYSA-N;methyl 3-hydroxy -2-nitrobenzoate;AMY20552;AKOS006314117;CS-W003695;SY005032;EN300-98787;A852485;Z1198265948

Chemical Property of Methyl 3-hydroxy-2-nitrobenzoate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 108-110℃
• Refractive Index: 1.59
• Boiling Point: 309.958 °C at 760 mmHg
• PKA: 6.38±0.10(Predicted)
• Flash Point: 141.258 °C
• PSA: 92.35000
• Density: 1.433 g/cm³
• LogP: 1.61020
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 197.03242232
• Heavy Atom Count: 14
• Complexity: 236

Purity/Quality:

99% ^*data from raw suppliers

Methyl3-hydroxy-2-nitrobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(C(=CC=C1)O)[N+](=O)[O-]

Technology Process of Methyl 3-hydroxy-2-nitrobenzoate

There total 10 articles about Methyl 3-hydroxy-2-nitrobenzoate 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: 100.0%

3-hydroxy-2-nitrobenzoic acid (602-00-6) → methyl 3-hydroxy-2-nitrobenzoate (89942-77-8)

Guidance literature:

methanol; With thionyl chloride; at 0 ℃; for 0.5h;

3-hydroxy-2-nitrobenzoic acid; for 4h; Heating / reflux;

Reference yield: 98.0%

methyl 3-methoxy-2-nitrobenzoate (5307-17-5) → methyl 3-hydroxy-2-nitrobenzoate (89942-77-8)

Guidance literature:

With aluminum (III) chloride; In dichloromethane;

DOI:10.1039/c3ra41080c

Reference yield: 96.0%

3-hydroxy-2-nitrobenzoic acid (602-00-6) + diazomethyl-trimethyl-silane (18107-18-1) → methyl 3-hydroxy-2-nitrobenzoate (89942-77-8)

Guidance literature:

In methanol; diethyl ether; at 0 ℃; for 2h;

DOI:10.1021/jm801241n

upstream raw materials:

3-hydroxy-2-nitrobenzoic acid

methanol

diazomethyl-trimethyl-silane

methyl iodide

Downstream raw materials:

methyl 3-furfuryloxy-2-nitrobenzoate

2-amino-3-hydroxy-benzoic acid methyl ester

methyl 2-methylbenzo[d]oxazole-4-carboxylate

3-benzyloxy-2-nitrobenzoic acid methyl ester

Refernces

• 1、 Ndikuryayo, Ferdinand,Kang, Wei-Ming,Wu, Feng-Xu,Yang, Wen-Chao,Yang, Guang-Fu. "Hydrophobicity-oriented drug design (HODD) of new human 4-hydroxyphenylpyruvate dioxygenase inhibitors". . p. 22 - 31. Retrieved 2019/01/26.
• 2、 -. "CLASS OF NEAR INFRARED MOLECULAR PROBES FOR BIOLOGICAL APPLICATIONS". . . Retrieved 2014/10/16.