5-Nitrothiophen-2-ylmethylene diacetate

Base Information

• Chemical Name: 5-Nitrothiophen-2-ylmethylene diacetate
• CAS No.: 14289-24-8
• Molecular Formula: C9H9 N O6 S
• Molecular Weight: 259.24
• Hs Code.: 2934999090
• European Community (EC) Number: 238-211-7
• NSC Number: 525304
• UNII: 9B8VDQ6JKZ
• DSSTox Substance ID: DTXSID90162207
• Nikkaji Number: J216.941J
• Wikidata: Q83030797
• Mol file: 14289-24-8.mol

Synonyms:5-Nitrothiophen-2-ylmethylene diacetate;14289-24-8;9B8VDQ6JKZ;[acetyloxy-(5-nitrothiophen-2-yl)methyl] acetate;EINECS 238-211-7;NSC-525304;C9H9NO6S;(acetyloxy){5-nitro-2-thienyl}methyl acetate;(ACETYLOXY)(5-NITRO-2-THIENYL)METHYL ACETATE;NSC525304;UNII-9B8VDQ6JKZ;CBMicro_013489;SCHEMBL12443426;5-Nitro-2-thenylidene diacetate;DTXSID90162207;SMSF0004410;STK023103;AKOS000486461;CB04959;NSC 525304;BIM-0013468.P001;(5-nitrothiophen-2-yl)methanediyl diacetate;1,1'-[5-nitro-2-thienyl)methylene] diacetate;AG-205/36591047;SR-01000514285;SR-01000514285-1;Methanediol, 1-(5-nitro-2-thienyl)-, 1,1-diacetate

Chemical Property of 5-Nitrothiophen-2-ylmethylene diacetate

Chemical Property:

• Vapor Pressure: 9.62E-06mmHg at 25°C
• Melting Point: 72-73 °C
• Boiling Point: 372.4°Cat760mmHg
• Flash Point: 179°C
• PSA: 126.66000
• Density: 1.433g/cm³
• LogP: 2.30430
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 259.01505818
• Heavy Atom Count: 17
• Complexity: 312

Purity/Quality:

99% ^*data from raw suppliers

(5-nitro-2-thienyl)methylenediacetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC(C1=CC=C(S1)[N+](=O)[O-])OC(=O)C

Technology Process of 5-Nitrothiophen-2-ylmethylene diacetate

There total 5 articles about 5-Nitrothiophen-2-ylmethylene diacetate 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%

thiophene-2-carbaldehyde (98-03-3) + acetic anhydride (108-24-7) → 5-nitrothiophene-2-carboxaldehyde diacetate (14289-24-8)

Guidance literature:

With nitric acid; acetic acid; at 50 - 60 ℃; for 0.5h;

DOI:10.1016/S0223-5234(03)00148-X

Reference yield:

2-thiophenecarboxaldehyde diacetate (63011-97-2) → 5-nitrothiophene-2-carboxaldehyde diacetate (14289-24-8)

Guidance literature:

With nitric acid; acetic anhydride; acetic acid;

DOI:10.1021/ja01114a508 DOI:10.1021/ja01125a519

Reference yield:

thiophene-2-carbaldehyde (98-03-3) + acetic anhydride (108-24-7) → 5-nitrothiophene-2-carboxaldehyde diacetate (14289-24-8) + 2-diacetoxymethyl-4-nitro-thiophene (63011-99-4)

Guidance literature:

With nitric acid; acetic acid;

upstream raw materials:

thiophene-2-carbaldehyde

acetic anhydride

2-thiophenecarboxaldehyde diacetate

nitric acid

Downstream raw materials:

5-nitro-2-thiophenecarboxaldehyde

5-ethoxycarbonyl-4-(5-nitrothiophen-2-yl)-6-methyl-3,4-dihydropyrimidin-2(1H)-one

(nitro-5 thenylidene-2 amino)-4 (hydroxy-2 ethyl)-1 phenyl-3 triazol-1,2,4 one-5

(nitro-5 thenylidene-2 amino)-4 (hydroxy-6 hexyl)-1 phenyl-3 triazol-1,2,4 one-5