Meptyldinocap

Base Information

• Chemical Name: Meptyldinocap
• CAS No.: 6119-92-2
• Molecular Formula: C18H24N2O6
• Molecular Weight: 364.398
• 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: 6119-92-2.mol

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

Chemical Property of Meptyldinocap

Chemical Property:

• Boiling Point: 473.7°Cat760mmHg
• Flash Point: 173.9°C
• Density: 1.175g/cm³
• 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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

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

Technology Process of Meptyldinocap

There total 9 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:

2,4-dinitro-6-(oct-2-yl)phenol (3687-22-7) + crotonyl chloride (10487-71-5) → 2,4-dinitro-6-(1-methylheptyl)benzocrotonate (6119-92-2)

Guidance literature:

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

crotonyl chloride; In n-heptane; at 60 ℃; for 1h;

Reference yield:

2-<1-Methylhepten-(1)-yl>-phenol (17475-09-1) → 2,4-dinitro-6-(1-methylheptyl)benzocrotonate (6119-92-2)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂ / Pd-C

2: (i) (nitration), (ii) /BRN= 506118/

With hydrogen; palladium on activated charcoal;

DOI:10.1039/jr9620000519

Reference yield:

n-hexylmagnesium bromide (3761-92-0) → 2,4-dinitro-6-(1-methylheptyl)benzocrotonate (6119-92-2)

Guidance literature:

Multi-step reaction with 3 steps

1: (i), (ii) KHSO₄

2: H₂ / Pd-C

3: (i) (nitration), (ii) /BRN= 506118/

With hydrogen; palladium on activated charcoal;

DOI:10.1039/jr9620000519

upstream raw materials:

2-(1-Methylheptyl)phenol

crotonyl chloride

2-<1-Methylhepten-(1)-yl>-phenol

n-hexylmagnesium bromide

Downstream raw materials:

C₄H₇NO₂

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

Refernces

• 1、 -. "ISOMERIC MIXTURES OF DINITRO-OCTYLPHENYL ESTERS AND SYNERGISTIC FUNGICIDAL MIXTURES THEREFROM". Page/Page column 23. . Retrieved 2010/11/08.
• 2、 -. "Propynyl benzyl ethers". . . Retrieved 2008/06/13.