Ethyl 2-nitrobenzoate

Base Information

• Chemical Name: Ethyl 2-nitrobenzoate
• CAS No.: 610-34-4
• Molecular Formula: C9H9NO4
• Molecular Weight: 195.175
• Hs Code.: 2916399090
• European Community (EC) Number: 210-220-0
• NSC Number: 4685
• UNII: NJJ25B6JXT
• DSSTox Substance ID: DTXSID60209855
• Nikkaji Number: J136.388C
• Wikidata: Q83084326
• Mol file: 610-34-4.mol

Synonyms:Ethyl 2-nitrobenzoate;610-34-4;Ethyl o-nitrobenzoate;ethyl nitrobenzoate;Benzoic acid, 2-nitro-, ethyl ester;Benzoic acid, o-nitro-, ethyl ester;AI3-04245;54605-16-2;NSC-4685;EINECS 210-220-0;MFCD00014696;2-Nitro-benzoic acid ethyl ester;Nitrobenzoesaureathylester;NJJ25B6JXT;SCHEMBL1523174;2-Nitrobenzoic acid ethyl ester;DTXSID60209855;NSC4685;NSC 4685;AC6461;AKOS002723460;AS-57615;SY247981;CS-0151743;FT-0625974;A833013;[1-methyl-2-(2-thienyl)ethyl] 4-methylbenzenesulfonate

Chemical Property of Ethyl 2-nitrobenzoate

Chemical Property:

• Vapor Pressure: 0.00523mmHg at 25°C
• Melting Point: 26-30 °C
• Refractive Index: 1.544
• Boiling Point: 275 °C at 760 mmHg ,172-174°C 18mm
• Flash Point: 126.1 °C
• PSA: 72.12000
• Density: 1.253 g/cm³
• LogP: 2.29470
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 195.05315777
• Heavy Atom Count: 14
• Complexity: 223

Purity/Quality:

99% ^*data from raw suppliers

Ethyl2-Nitrobenzoate ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22
• Safety Statements: 23-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of Ethyl 2-nitrobenzoate

There total 24 articles about Ethyl 2-nitrobenzoate 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%

diethyl sulfate (64-67-5) + ortho-nitrobenzoic acid (552-16-9,104810-18-6) → ethyl 2-nitrobenzoate (610-34-4)

Guidance literature:

With sodium hydrogencarbonate; In acetone; at 55 - 60 ℃; for 10h;

Reference yield: 95.0%

ethanol (64-17-5) + carbon monoxide (201230-82-2) + o-nitroiodobenzene (609-73-4) → ethyl 2-nitrobenzoate (610-34-4)

Guidance literature:

With triethylamine; dichloro bis(acetonitrile) palladium(II); at 70 ℃; for 24h;

DOI:10.1016/j.tet.2008.07.053

Reference yield: 71.0%

ethanol (64-17-5) + 2-nitro-benzaldehyde (552-89-6) → ethyl 2-nitrobenzoate (610-34-4)

Guidance literature:

With urea-2,2-dihydroperoxypropane; hydrogen bromide; acetic acid; at 20 ℃; for 4h;

DOI:10.1002/jccs.201600777

upstream raw materials:

ethanol

ortho-nitrobenzoic acid

(2-nitro-phenyl)-(toluene-4-sulfonyloxy)-acetonitrile

sodium ethanolate

Downstream raw materials:

2,2'-azoxy-di-benzoic acid

ethyl 2-nitrosobenzoate

2-nitro-benzoic acid menthyl ester

o-nitrobenzohydrazide

Refernces

• 1、 Bai, Hangyu,Jiang, Weiqi,Li, Qi,Li, Tian,Ma, Shichuang,Shi, Baojun,Wu, Wenjun. "Design, Synthesis, and Study of the Insecticidal Activity of Novel Steroidal 1,3,4-Oxadiazoles". . p. 11572 - 11581. Retrieved 2021/10/12.
• 2、 Abbasi,Ramzan,Aziz-ur-Rehman,Siddiqui,Shah,Hassan,Seo,Ashraf,Mirza,Ismail. "N-(5-Methyl-1,3-Thiazol-2-yl)-2-{[5-((Un)Substituted- Phenyl)1,3,4-Oxadiazol-2-yl]Sulfanyl}acetamides. Unique Biheterocycles as Promising Therapeutic Agents". . p. 801 - 811. Retrieved 2019/02/27.