4-Nitrophenylglycolic acid

Base Information

• Chemical Name: 4-Nitrophenylglycolic acid
• CAS No.: 10098-39-2
• Molecular Formula: C8H7 N O5
• Molecular Weight: 197.147
• Hs Code.: 2918199090
• European Community (EC) Number: 233-233-3
• NSC Number: 126600
• DSSTox Substance ID: DTXSID70868513
• Nikkaji Number: J241.264K
• Mol file: 10098-39-2.mol

Synonyms:2-hydroxy-2-(4-nitrophenyl)acetic acid;10098-39-2;4-Nitrophenylglycolic acid;hydroxy{4-nitrophenyl}acetic acid;EINECS 233-233-3;Hydroxy(4-nitrophenyl)acetic acid;MFCD00798436;p-nitro-mandelic acid;SCHEMBL3749117;DTXSID70868513;Hydroxy(4-nitrophenyl)acetic acid #;MFCD04971202;NSC126600;AKOS022172861;2-hydroxy-2-(4-nitrophenyl)aceticacid;alpha-Hydroxy-4-nitrobenzeneacetic acid;NSC 126600;NSC-126600;SB84359;SY290825;SY298204;Benzeneacetic acid, .alpha.-hydroxy-4-nitro-;E86253;AB-131/40897102;J-509641

Chemical Property of 4-Nitrophenylglycolic acid

Chemical Property:

• Vapor Pressure: 2.17E-08mmHg at 25°C
• Melting Point: 93-94 °C
• Boiling Point: 436.4°C at 760 mmHg
• PKA: 2.81±0.10(Predicted)
• Flash Point: 197.5°C
• PSA: 103.35000
• Density: 1.552g/cm³
• LogP: 1.23600
• Storage Temp.: 2-8°C
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 197.03242232
• Heavy Atom Count: 14
• Complexity: 228

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Hydroxy-2-(4-nitrophenyl)aceticacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(C(=O)O)O)[N+](=O)[O-]

Technology Process of 4-Nitrophenylglycolic acid

There total 15 articles about 4-Nitrophenylglycolic acid 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%

(4-nitrophenyl)ethanone (100-19-6) → 2-hydroxy-2-(4-nitrophenyl)acetic acid (10098-39-2)

Guidance literature:

With selenium(IV) oxide; ytterbium(III) triflate; In 1,4-dioxane; water; at 90 ℃; for 18h;

DOI:10.1021/ol050125e

Reference yield: 57.0%

2-(4-nitrophenyl)-2-[(trimethylsilyl)oxy]acetonitrile (71189-80-5) → 2-hydroxy-2-(4-nitrophenyl)acetic acid (10098-39-2)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; at 60 ℃; for 6h;

DOI:10.1002/anie.200704021

Reference yield: 48.0%

tert-butyl hydroxy-(4-nitrophenyl)acetate (609339-95-9) → 2-hydroxy-2-(4-nitrophenyl)acetic acid (10098-39-2)

Guidance literature:

With trifluoroacetic acid; at 20 ℃; for 1h;

DOI:10.1139/v03-045

upstream raw materials:

p-nitromandelonitrile

2,2-dibromo-1-(4-nitro-phenyl)-ethanone

methyl (±)-2-hydroxy-2-(4-nitrophenyl)acetate

4-nitrophenylacetyl chloride

Downstream raw materials:

D-4-amino-mandelic acid

ethyl 2-(4-nitrophenyl)-2-oxoacetate

(R)-4-nitromandelic acid

2-(4-nitro-phenyl)-3-oxo-2,3-dihydro-thiazolo[3,2-a]pyridinylium