Methyl 2-(4,5-dichloro-2-nitrophenyl)acetate

Base Information

• Chemical Name: Methyl 2-(4,5-dichloro-2-nitrophenyl)acetate
• CAS No.: 286949-63-1
• Molecular Formula: C9H7Cl2NO4
• Molecular Weight: 264.06
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID50377395
• Wikidata: Q82166594
• Mol file: 286949-63-1.mol

Synonyms:methyl 2-(4,5-dichloro-2-nitrophenyl)acetate;286949-63-1;SCHEMBL9975343;DTXSID50377395;MFCD03425813;AKOS005071202;CS-0333356;methyl2-(4,5-dichloro-2-nitrophenyl)acetate;7T-0315;J-521833

Chemical Property of Methyl 2-(4,5-dichloro-2-nitrophenyl)acetate

Chemical Property:

• Melting Point: 66-69°C
• PSA: 72.12000
• LogP: 3.14030
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 262.9752131
• Heavy Atom Count: 16
• Complexity: 281

Purity/Quality:

98%min ^*data from raw suppliers

Methyl 2-(4,5-dichloro-2-nitrophenyl)acetate >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 2-(4,5-dichloro-2-nitrophenyl)acetate

There total 1 articles about Methyl 2-(4,5-dichloro-2-nitrophenyl)acetate 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: 82.0%

methanol (67-56-1) + 2-nitro-4,5-dichlorophenylacetic acid (37777-90-5) → 4,5-dichloro-2-nitrophenylacetic acid methyl ester (286949-63-1)

Guidance literature:

With sulfuric acid; for 7h; Heating;

DOI:10.1021/jm990320x

Reference yield: 76.0%

4,5-dichloro-2-nitrophenylacetic acid methyl ester (286949-63-1) → 5,6-dichloroindol-2-one (71293-59-9)

Guidance literature:

With hydrogen; acetic acid; platinum(IV) oxide; at 20 ℃; for 20h; under 2068.65 Torr;

DOI:10.1021/jm990320x

Reference yield:

4,5-dichloro-2-nitrophenylacetic acid methyl ester (286949-63-1) → 1-(2-deoxy-5-O-tert-butyldiphenylsilyl-β-D-erythro-pentofuranosyl)-2,5,6-trichloroindole (286949-72-2)

Guidance literature:

Multi-step reaction with 5 steps

1.1: 76 percent / H₂; AcOH / PtO₂ / 20 h / 20 °C / 2068.65 Torr

2.1: 70 percent / POCl₃; imidazole / 1,2-dichloro-ethane / 2.5 h / Heating

3.1: NaH / acetonitrile / 0.17 h / 20 °C

3.2: 92 percent / acetonitrile / 0.33 h

4.1: 98 percent / NaOMe / methanol / 2 h / 20 °C

5.1: 90 percent / pyridine / 24 h / 20 °C

With pyridine; 1H-imidazole; hydrogen; sodium methylate; sodium hydride; acetic acid; trichlorophosphate; platinum(IV) oxide; In methanol; 1,2-dichloro-ethane; acetonitrile; 1.1: Reduction / 2.1: Chlorination / 3.1: Metallation / 3.2: Glycosylation / 4.1: Debenzoylation / 5.1: Silylation;

DOI:10.1021/jm990320x

upstream raw materials:

methanol

2-nitro-4,5-dichlorophenylacetic acid

Downstream raw materials:

5,6-dichloroindol-2-one

2,5,6-trichloroindole

2-bromo-5,6-dichloroindole

2-benzylthio-5,6-dichloroindole