2-(2-(Hydroxymethyl)-5-nitrophenyl)ethanol

Base Information

• Chemical Name: 2-(2-(Hydroxymethyl)-5-nitrophenyl)ethanol
• CAS No.: 186390-74-9
• Molecular Formula: C9H11NO4
• Molecular Weight: 197.191
• DSSTox Substance ID: DTXSID901278146
• Mol file: 186390-74-9.mol

Synonyms:2-(2-(Hydroxymethyl)-5-nitrophenyl)ethanol;186390-74-9;2-[2-(hydroxymethyl)-5-nitrophenyl]ethanol;2-(2-(HYDROXYMETHYL)-5-NITROPHENYL)-ETHANOL;2-(2-hydroxymethyl-5-nitro-phenyl)-ethanol;SCHEMBL5129064;SYBKBPXOVQYFFA-UHFFFAOYSA-N;DTXSID901278146;CS-M0237;AKOS006275866;2-(Hydroxymethyl)-5-nitrobenzeneethanol;2-(2-Hydroxymethyl-5-nitrophenyl)ethanol;AC-30512;CS-14222;2-(2-Hydroxymethyl-5-nitrophenyl)-ethanol;2-(2 hydroxymethly-5-nitro-phenyl)-ethanol;FT-0762485;2-[2-(hydroxymethyl)-5-nitrophenyl]ethan-1-ol

Chemical Property of 2-(2-(Hydroxymethyl)-5-nitrophenyl)ethanol

Chemical Property:

• Melting Point: 79-81 °C
• Boiling Point: 416.4±35.0 °C(Predicted)
• PKA: 13.56±0.10(Predicted)
• PSA: 86.28000
• Density: 1.356±0.06 g/cm3(Predicted)
• LogP: 1.14510
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 197.06880783
• Heavy Atom Count: 14
• Complexity: 192

Purity/Quality:

98% ^*data from raw suppliers

2-(2-(hydroxymethyl)-5-nitrophenyl)ethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(2-(Hydroxymethyl)-5-nitrophenyl)ethanol

There total 6 articles about 2-(2-(Hydroxymethyl)-5-nitrophenyl)ethanol 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: 89.0%

2-carboxymethyl-4-nitro-benzoic acid (39585-32-5) → 2-(2-Hydroxymethyl-5-nitro-phenyl)-ethanol (186390-74-9)

Guidance literature:

With sodium tetrahydroborate; boron trifluoride diethyl etherate; In tetrahydrofuran; at 25 ℃; for 16h;

DOI:10.1021/jo972184e

Reference yield:

4-nitrohomophthalic anhydride (150879-75-7) → 2-(2-Hydroxymethyl-5-nitro-phenyl)-ethanol (186390-74-9)

Guidance literature:

In tetrahydrofuran; dichloromethane; ethyl acetate;

Reference yield:

tetrahydrofuran (109-99-9,24979-97-3,77392-70-2) + 2-carboxymethyl-4-nitro-benzoic acid (39585-32-5) + trifluoroborane diethyl ether (109-63-7) → 2-(2-Hydroxymethyl-5-nitro-phenyl)-ethanol (186390-74-9)

Guidance literature:

With sodium borohydrid;

upstream raw materials:

2-carboxymethyl-4-nitro-benzoic acid

2-chloro-4-nitrobenzoic acid

2-(2-Carboxy-5-nitro-phenyl)-malonic acid

2-(carboxy-5-nitro-phenyl)malonic acid dimethyl ester

Downstream raw materials:

[2-[2-[(methylsulfonyl)oxy]ethyl]-4-nitrophenyl]methyl methanesulfonate

6-nitro-3,4-dihydro-1H-isochromene

2-<2-(4-methoxybenzyl)-2H-<1,2,4>triazol-3-ylmethyl>-6-nitro-1,2,3,4-tetrahydro-isoquinoline

6-amino-2-<2-(4-methoxybenzyl)-2H-<1,2,4>triazol-3-ylmethyl>-1,2,3,4-tetrahydro-isoquinoline

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