Cyclopropylmethyl 3,5-dinitrobenzoate

Base Information

• Chemical Name: Cyclopropylmethyl 3,5-dinitrobenzoate
• CAS No.: 10364-97-3
• Molecular Formula: C₁₁H₁₀N₂O₆
• Molecular Weight: 266.21
• European Community (EC) Number: 654-727-9
• NSC Number: 98337
• DSSTox Substance ID: DTXSID60294827
• Nikkaji Number: J2.186.048D
• Wikidata: Q82034369
• Mol file: 10364-97-3.mol

Synonyms:10364-97-3;cyclopropylmethyl 3,5-dinitrobenzoate;NSC98337;3,5-DINITRO-BENZOIC ACID CYCLOPROPYLMETHYL ESTER;DTXSID60294827;NSC-98337;AKOS024332172

Chemical Property of Cyclopropylmethyl 3,5-dinitrobenzoate

Chemical Property:

• Vapor Pressure: 6.64E-07mmHg at 25°C
• Boiling Point: 409.1°C at 760 mmHg
• Flash Point: 188.4°C
• Density: 1.476g/cm³
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 266.05388604
• Heavy Atom Count: 19
• Complexity: 362

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1COC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Technology Process of Cyclopropylmethyl 3,5-dinitrobenzoate

There total 3 articles about Cyclopropylmethyl 3,5-dinitrobenzoate 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:

3,5-dinitrobenzoic acid (99-34-3) → cyclopropylmethyl 3,5-dinitrobenzoate (10364-97-3)

Guidance literature:

Multi-step reaction with 2 steps

1: (COCl)2; DMF / CH₂Cl₂ / 20 °C

2: pyridine / 4 h

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

DOI:10.1039/b503124a

Reference yield:

Cyclopropylmethanol (2516-33-8) + 3,5-dinitrobenoyl chloride (99-33-2) → cyclopropylmethyl 3,5-dinitrobenzoate (10364-97-3)

Guidance literature:

With pyridine; for 4h;

DOI:10.1039/b503124a

Reference yield:

→ cyclopropylmethyl 3,5-dinitrobenzoate (10364-97-3)

Guidance literature:

entspr. Alkoh., 3,5-Dinitrobenzoat;

DOI:10.1021/jo00826a011

upstream raw materials:

Cyclopropylmethanol

3,5-dinitrobenoyl chloride

3,5-dinitrobenzoic acid

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