5-(4-Methyl-2-nitrophenyl)furan-2-carboxylic acid

Base Information

• Chemical Name: 5-(4-Methyl-2-nitrophenyl)furan-2-carboxylic acid
• CAS No.: 55377-91-8
• Molecular Formula: C12H9NO5
• Molecular Weight: 247.2
• Hs Code.: 2932190090
• European Community (EC) Number: 620-900-2
• DSSTox Substance ID: DTXSID80350858
• Wikidata: Q82126953
• Mol file: 55377-91-8.mol

Synonyms:5-(4-methyl-2-nitrophenyl)furan-2-carboxylic acid;55377-91-8;5-(4-METHYL-2-NITRO-PHENYL)-FURAN-2-CARBOXYLIC ACID;SCHEMBL2637459;DTXSID80350858;BBL005503;STK199384;AKOS000297271;AKOS015894353;VS-01583;BB 0245085;CS-0326997;5-(4-Methyl-2-nitro-phenyl)-furan-2-carboxylic acid

Chemical Property of 5-(4-Methyl-2-nitrophenyl)furan-2-carboxylic acid

Chemical Property:

• Melting Point: 193-195 °C(lit.)
• PSA: 96.26000
• LogP: 3.38460
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 247.04807239
• Heavy Atom Count: 18
• Complexity: 340

Purity/Quality:

99% ^*data from raw suppliers

5-(4-METHYL-2-NITRO-PHENYL)-FURAN-2-CARBOXYLIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)C2=CC=C(O2)C(=O)O)[N+](=O)[O-]

Technology Process of 5-(4-Methyl-2-nitrophenyl)furan-2-carboxylic acid

There total 1 articles about 5-(4-Methyl-2-nitrophenyl)furan-2-carboxylic 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: 45.0%

2-furanoic acid (88-14-2) + 4-methyl-2-nitroaniline (89-62-3) → 5-(4-methyl-2-nitrophenyl)furan-2-carboxylic acid (55377-91-8)

Guidance literature:

4-methyl-2-nitroaniline; With hydrogenchloride; sodium nitrite;

2-furanoic acid; With copper(II) chloride dihydrate; In water; acetone; at 0 - 30 ℃;

DOI:10.1134/S1070428009040125

Reference yield: 85.0%

5-(4-methyl-2-nitrophenyl)furan-2-carboxylic acid (55377-91-8) + 4-amino-3-mercapto-6-tert-butyl-1,2,4-triazin-5-one (33509-43-2) → C19H17N5O4S

Guidance literature:

With trichlorophosphate; for 6h; Heating;

DOI:10.1080/10426500601096435

Reference yield: 83.0%

ethanol (64-17-5) + 5-(4-methyl-2-nitrophenyl)furan-2-carboxylic acid (55377-91-8) → 5-(4-Methyl-2-nitro-phenyl)-furan-2-carboxylic acid ethyl ester (95611-94-2)

Guidance literature:

With sulfuric acid; for 7h; Heating;

DOI:10.1248/cpb.32.4271

upstream raw materials:

2-furanoic acid

4-methyl-2-nitroaniline

Downstream raw materials:

5-(4-Methyl-2-nitro-phenyl)-furan-2-carboxylic acid ethyl ester

5-(2-Amino-4-methyl-phenyl)-furan-2-carboxylic acid ethyl ester

5-(2-Azido-4-methyl-phenyl)-furan-2-carboxylic acid ethyl ester

3,4,5-trimethoxybenzyl 5-(4-methyl-2-nitrophenyl)-2-furamide

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