3-(5-Nitrothiophen-2-yl)acrylic acid

Base Information

• Chemical Name: 3-(5-Nitrothiophen-2-yl)acrylic acid
• CAS No.: 50868-70-7
• Molecular Formula: C7H5NO4S
• Molecular Weight: 199.187
• Hs Code.: 2934999090
• European Community (EC) Number: 850-728-5
• NSC Number: 178900
• Nikkaji Number: J1.404.538D,J1.586.699C
• Mol file: 50868-70-7.mol

Synonyms:3-(5-Nitrothiophen-2-yl)acrylic acid;17163-22-3;50868-70-7;(E)-3-(5-nitrothiophen-2-yl)acrylic acid;3-(5-NITRO-2-THIENYL)ACRYLIC ACID;(2E)-3-(5-nitrothiophen-2-yl)prop-2-enoic acid;3-(5-Nitro-2-thiophene)acrylic Acid;(E)-3-(5-nitrothiophen-2-yl)prop-2-enoic acid;5-Nitro-2-thiopheneacrylic acid;(2E)-3-(5-nitrothiophen-2-yl)prop-2-enoicacid;MFCD00116170;NSC178900;(E)-3-(5-Nitro-2-thienyl)acrylic acid;SCHEMBL18985276;BBL023101;STL257033;AKOS015995588;NSC-178900;VS-07326;(E)-3-(5-nitrothiophen-2-yl)acrylicacid;CS-0157910;CS-0166928;(E)-3-(5-nitro-thiophen-2-yl)-acrylic acid;D95002;EN300-1718355;Z1255419468

Chemical Property of 3-(5-Nitrothiophen-2-yl)acrylic acid

Chemical Property:

• Vapor Pressure: 7.46E-07mmHg at 25°C
• Melting Point: 253 °C
• Refractive Index: 1.696
• Boiling Point: 392.2°Cat760mmHg
• PKA: 3.90±0.10(Predicted)
• Flash Point: 191°C
• PSA: 111.36000
• Density: 1.576g/cm³
• LogP: 2.27730
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 198.99392881
• Heavy Atom Count: 13
• Complexity: 247

Purity/Quality:

99%min ^*data from raw suppliers

(2E)-3-(5-nitrothiophen-2-yl)prop-2-enoicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-(5-Nitrothiophen-2-yl)acrylic acid

There total 5 articles about 3-(5-Nitrothiophen-2-yl)acrylic 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:

5-nitro-2-thiophenecarboxaldehyde (4521-33-9) + acetic anhydride (108-24-7) → (E)-3-(2-nitrothiophen-5-yl)propenoic acid (50868-70-7)

Guidance literature:

With sodium acetate; at 175 ℃;

DOI:10.1021/ja01646a036

Reference yield:

→ (E)-3-(2-nitrothiophen-5-yl)propenoic acid (50868-70-7)

Guidance literature:

With chromium(VI) oxide; acetic acid;

Reference yield:

5-nitrothiophene-2-carboxaldehyde diacetate (14289-24-8) → (E)-3-(2-nitrothiophen-5-yl)propenoic acid (50868-70-7)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous sulfuric acid

2: pyridine / Erhitzen des Reaktionsprodukts

With pyridine; sulfuric acid;

upstream raw materials:

5-nitro-2-thiophenecarboxaldehyde

malonic acid

acetic anhydride

5-nitrothiophene-2-carboxaldehyde diacetate

Downstream raw materials:

(E)-3-(5-nitrothiophen-2-yl)-N-(4-(N-(3-(prop-2-yn-1-yloxy)pyrazin-2-yl)sulfamoyl)phenyl)acrylamide

(E)-N-(4-(N-(3-hydroxypyrazin-2-yl)sulfamoyl)phenyl)-3-(5-nitrothiophen-2-yl)acrylamide

(E)-N-(4-(N-(3-(benzyloxy)pyrazin-2-yl)sulfamoyl)phenyl)-3-(5-nitrothiophen-2-yl)acrylamide

(2E)-N-[4-[[(3-methoxy-2-pyrazinyl)amino]sulfonyl]phenyl]-3-(5-nitro-2-thienyl)-2-propenamide