Meptyldinocap

Base Information

• Chemical Name: Meptyldinocap
• CAS No.: 131-72-6
• Molecular Formula: C₁₈H₂₄N₂O₆
• Molecular Weight: 364.398
• Hs Code.: 2916190090
• European Community (EC) Number: 228-088-8,679-522-1
• UNII: OQU8KLU91P
• DSSTox Substance ID: DTXSID90274056
• Nikkaji Number: J33.996B,J810I
• Wikidata: Q19296230
• Mol file: 131-72-6.mol

Synonyms:2-(1-methylheptyl)-4,6-dinitrophenyl-(2E)-2-butanoate;meptyldinocap

Chemical Property of Meptyldinocap

Chemical Property:

• Vapor Pressure: 3.85E-09mmHg at 25°C
• Boiling Point: 473.7 °C at 760 mmHg
• Flash Point: 173.9 °C
• PSA: 117.94000
• Density: 1.175 g/cm³
• LogP: 6.10480
• Storage Temp.: 0-6°C
• Water Solubility.: <0.1 mg l-1
• XLogP3: 6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 364.16343649
• Heavy Atom Count: 26
• Complexity: 511

Purity/Quality:

99% ^*data from raw suppliers

Meptyldinocap ^*data from reagent suppliers

Safty Information:

• Pictogram(s): XiN
• Hazard Codes: T,N
• Statements: 61-20/22-38-43-48/22-50/53
• Safety Statements: 53-36/37-45-60-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C=CC
• Isomeric SMILES: CCCCCCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)/C=C/C
• Uses: Dinocap is a contact fungicide which provides both protective and curative activities against powdery mildews, fruit rots, stem rots, leaf spots, brown rots, etc., in a wide range of crops including pome fruits, stone fruits, citrus, vines, hops, ornamentals and berries.

Technology Process of Meptyldinocap

There total 3 articles about Meptyldinocap 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:

trans-chrotonyl chloride (625-35-4,3488-22-0,10487-71-5) + 2,4-dinitro-6-(oct-2-yl)phenol (3687-22-7) → crotonic acid 2-(1-methyl-heptyl)-4,6-dinitro-phenyl ester (6119-92-2,131-72-6)

Guidance literature:

2,4-dinitro-6-(oct-2-yl)phenol; With N,N'-dimethylbenzylamine; In n-heptane; at 40 ℃; for 0.916667h;

trans-chrotonyl chloride; at 60 ℃; for 1h;

Reference yield:

2-(1-Methylheptyl)phenol (18626-98-7) → crotonic acid 2-(1-methyl-heptyl)-4,6-dinitro-phenyl ester (6119-92-2,131-72-6)

Guidance literature:

Multi-step reaction with 3 steps

1.1: sulfuric acid / 1 h / 60 - 72 °C

2.1: sodium nitrate / water / 4 h / 78 °C

3.1: N,N'-dimethylbenzylamine / n-heptane / 0.92 h / 40 °C

3.2: 1 h / 60 °C

With N,N'-dimethylbenzylamine; sodium nitrate; sulfuric acid; In n-heptane; water;

Reference yield:

→ crotonic acid 2-(1-methyl-heptyl)-4,6-dinitro-phenyl ester (6119-92-2,131-72-6)

Guidance literature:

upstream raw materials:

trans-chrotonyl chloride

2,4-dinitro-6-(oct-2-yl)phenol

2-(1-Methylheptyl)phenol

Refernces

• 1、 -. "N-alkyl-2,6-dimethylmorpholinocarboxamide salts, compositions and their use as fungicides". . . Retrieved 2008/06/13.