Methyl 2-(2,6-difluoro-3-nitrophenyl)acetate

Base Information

• Chemical Name: Methyl 2-(2,6-difluoro-3-nitrophenyl)acetate
• CAS No.: 361336-79-0
• Molecular Formula: C9H7F2NO4
• Molecular Weight: 231.156
• DSSTox Substance ID: DTXSID30474139
• Wikidata: Q82303948
• Mol file: 361336-79-0.mol

Synonyms:METHYL 2-(2,6-DIFLUORO-3-NITROPHENYL)ACETATE;361336-79-0;methyl (2,6-difluoro-3-nitrophenyl)acetate;SCHEMBL6284303;DTXSID30474139;AB44756;AT10774;(2,6-Difluoro-3-nitrophenyl)acetic acid methyl ester

Chemical Property of Methyl 2-(2,6-difluoro-3-nitrophenyl)acetate

Chemical Property:

• PSA: 72.12000
• LogP: 2.11170
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 231.03431403
• Heavy Atom Count: 16
• Complexity: 281

Purity/Quality:

98%min ^*data from raw suppliers

(2,6-Difluoro-3-nitro-phenyl)-aceticacidmethylester 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CC1=C(C=CC(=C1F)[N+](=O)[O-])F

Technology Process of Methyl 2-(2,6-difluoro-3-nitrophenyl)acetate

There total 3 articles about Methyl 2-(2,6-difluoro-3-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:

methanol (67-56-1) + (2,6-difluoro-3-nitro-phenyl)-acetyl chloride → methyl (2,6-difluoro-3-nitrophenyl)acetate (361336-79-0)

Guidance literature:

With pyridine; In dichloromethane; at 20 ℃;

DOI:10.1021/jm030233b

Reference yield:

2,6-difluorophenylacetic acid (85068-28-6) → methyl (2,6-difluoro-3-nitrophenyl)acetate (361336-79-0)

Guidance literature:

Multi-step reaction with 3 steps

1: 91 percent / HNO₃ / methanol / 0.25 h / -10 °C

2: oxalyl chloride; DMF / CH₂Cl₂ / 20 °C

3: 5.47 g / pyridine / CH₂Cl₂ / 20 °C

With pyridine; oxalyl dichloride; nitric acid; N,N-dimethyl-formamide; In methanol; dichloromethane;

DOI:10.1021/jm030233b

Reference yield:

(2,6-difluoro-3-nitrophenyl)acetic acid (361336-78-9) → methyl (2,6-difluoro-3-nitrophenyl)acetate (361336-79-0)

Guidance literature:

Multi-step reaction with 2 steps

1: oxalyl chloride; DMF / CH₂Cl₂ / 20 °C

2: 5.47 g / pyridine / CH₂Cl₂ / 20 °C

With pyridine; oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane;

DOI:10.1021/jm030233b

upstream raw materials:

methanol

2,6-difluorophenylacetic acid

(2,6-difluoro-3-nitrophenyl)acetic acid

Downstream raw materials:

(6-hydroxy-2-methoxy-3-nitro-phenyl)-acetic acid

methyl (6-fluoro-2-methoxy-3-nitrophenyl)acetate

{2,6-difluoro-3-[(2-phenylethyl)amino]phenyl}acetic acid

methyl {2,6-difluoro-3-[(2-phenylethyl)amino]phenyl}acetate