Dimethyl 2-chloro-5-nitroterephthalate

Base Information

• Chemical Name: Dimethyl 2-chloro-5-nitroterephthalate
• CAS No.: 32888-86-1
• Molecular Formula: C10H8ClNO6
• Molecular Weight: 273.62662
• Hs Code.: 2917399090
• DSSTox Substance ID: DTXSID10362909
• Wikidata: Q82146423
• Mol file: 32888-86-1.mol

Synonyms:Dimethyl 2-chloro-5-nitroterephthalate;32888-86-1;dimethyl 2-chloro-5-nitrobenzene-1,4-dicarboxylate;Dimethyl2-chloro-5-nitroterephthalate;C10H8ClNO6;SCHEMBL2903296;DTXSID10362909;STK049061;AKOS005385182;CS-0332982

Chemical Property of Dimethyl 2-chloro-5-nitroterephthalate

Chemical Property:

• PSA: 98.42000
• LogP: 2.34460
• Storage Temp.: 2-8°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 273.0040147
• Heavy Atom Count: 18
• Complexity: 355

Purity/Quality:

99% ^*data from raw suppliers

Dimethyl 2-chloro-5-nitroterephthalate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC(=C(C=C1Cl)C(=O)OC)[N+](=O)[O-]

Technology Process of Dimethyl 2-chloro-5-nitroterephthalate

There total 3 articles about Dimethyl 2-chloro-5-nitroterephthalate 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: 83.0%

2-amino-5-chloro-terephthalic acid dimethyl ester (32888-87-2) → Dimethyl-2-chloro-5-nitroterephthalate (32888-86-1)

Guidance literature:

With dihydrogen peroxide; trifluoroacetic anhydride; In dichloromethane; at 45 ℃; for 3h;

DOI:10.1021/acs.inorgchem.6b00983

Reference yield:

dimethyl aminoterephthalate (5372-81-6) → Dimethyl-2-chloro-5-nitroterephthalate (32888-86-1)

Guidance literature:

Multi-step reaction with 2 steps

1: N-chloro-succinimide / isopropyl alcohol / 24 h / 60 °C

2: dihydrogen peroxide; trifluoroacetic anhydride / dichloromethane / 3 h / 45 °C

With N-chloro-succinimide; dihydrogen peroxide; trifluoroacetic anhydride; In dichloromethane; isopropyl alcohol;

DOI:10.1021/acs.inorgchem.6b00983

Reference yield:

→ Dimethyl-2-chloro-5-nitroterephthalate (32888-86-1)

Guidance literature:

aus Chlorterephthalsaeuredimethylester u. konz. HNO3/H2SO4;

DOI:10.1007/BF00473092

upstream raw materials:

dimethyl aminoterephthalate

2-amino-5-chloro-terephthalic acid dimethyl ester

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