Methyl 2,4-dichloro-6-methylnicotinate

Base Information

• Chemical Name: Methyl 2,4-dichloro-6-methylnicotinate
• CAS No.: 138642-40-7
• Molecular Formula: C₈H₇Cl₂NO₂
• Molecular Weight: 220.055
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID70569513
• Wikidata: Q82456671
• Mol file: 138642-40-7.mol

Synonyms:methyl 2,4-dichloro-6-methylnicotinate;138642-40-7;methyl 2,4-dichloro-6-methylpyridine-3-carboxylate;2,4-dichloro-6-methyl-nicotinic acid methyl ester;3-Pyridinecarboxylic acid, 2,4-dichloro-6-methyl-, methyl ester;SCHEMBL2630833;DTXSID70569513;LXQZBPLSOSNWJR-UHFFFAOYSA-N;MFCD10566526;AKOS016002534;methyl2,4-dichloro-6-methylnicotinate;SB33257;AS-47085;CS-0214741;EN300-189576;F11960;A886202;Z1269194613

Chemical Property of Methyl 2,4-dichloro-6-methylnicotinate

Chemical Property:

• Boiling Point: 282.4±35.0 °C(Predicted)
• PKA: -0.22±0.10(Predicted)
• PSA: 39.19000
• Density: 1.369±0.06 g/cm3(Predicted)
• LogP: 2.48340
• Storage Temp.: 2-8°C
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 218.9853839
• Heavy Atom Count: 13
• Complexity: 201

Purity/Quality:

97% ^*data from raw suppliers

2,4-Dichloro-6-methyl-nicotinicacidmethylester 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=N1)Cl)C(=O)OC)Cl

Technology Process of Methyl 2,4-dichloro-6-methylnicotinate

There total 1 articles about Methyl 2,4-dichloro-6-methylnicotinate 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:

C8H9NO4 (893616-55-2) → methyl 2,4-dichloro-6-methylpyridine-3-carboxylate (138642-40-7)

Guidance literature:

With N,N-diethylaniline; trichlorophosphate; In xylene;

DOI:10.1021/jm070579c

Reference yield:

methyl 2,4-dichloro-6-methylpyridine-3-carboxylate (138642-40-7) → 4-(4-(4-methoxy-6-methyl-1-trityl-1H-pyrazolo[4,3-c]pyridin-3-yl)pyridin-2-yl)morpholine (1347759-43-6)

Guidance literature:

Multi-step reaction with 7 steps

1.1: diisobutylaluminium hydride / dichloromethane; toluene / 2.5 h / -78 °C

1.2: -78 - 20 °C

2.1: triethylamine; oxalyl dichloride; dimethyl sulfoxide / dichloromethane / 1 h / -78 - 20 °C

3.1: hydrazine hydrate / 1,2-dimethoxyethane / 16 h / 80 °C

4.1: potassium hydroxide; iodine / 1,4-dioxane / 4 h / 70 °C

5.1: triethylamine / dichloromethane / 3.08 h / 20 °C

6.1: tetrahydrofuran; methanol / 2 h / 50 °C

7.1: sodium carbonate; potassium acetate / bis(di-tert-?butyl(4-?dimethylaminophenyl)?phosphine)?dichloropalladium(II) / acetonitrile; water / 0.5 h / 150 °C / Inert atmosphere

With oxalyl dichloride; iodine; potassium acetate; diisobutylaluminium hydride; sodium carbonate; hydrazine hydrate; dimethyl sulfoxide; triethylamine; potassium hydroxide; bis(di-tert-?butyl(4-?dimethylaminophenyl)?phosphine)?dichloropalladium(II); In tetrahydrofuran; 1,4-dioxane; methanol; 1,2-dimethoxyethane; dichloromethane; water; toluene; acetonitrile;

Reference yield:

methyl 2,4-dichloro-6-methylpyridine-3-carboxylate (138642-40-7) → methyl 2-(1-(4-methoxybenzyl)-6-methyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl)isonicotinate (1347759-29-8)

Guidance literature:

Multi-step reaction with 8 steps

1.1: diisobutylaluminium hydride / dichloromethane; toluene / 2.5 h / -78 °C

1.2: -78 - 20 °C

2.1: triethylamine; oxalyl dichloride; dimethyl sulfoxide / dichloromethane / 1 h / -78 - 20 °C

3.1: hydrazine hydrate / 1,2-dimethoxyethane / 16 h / 80 °C

4.1: potassium hydroxide; iodine / 1,4-dioxane / 4 h / 70 °C

5.1: potassium hydroxide / N,N-dimethyl-formamide / 25 °C

6.1: N-ethyl-N,N-diisopropylamine / butan-1-ol / 2 h / 170 °C / Microwave irradiation

7.1: trans-bis(triphenylphosphine)palladium dichloride / toluene / 15 h / 110 °C / Inert atmosphere; Sealed tube

8.1: lithium chloride / tetrakis(triphenylphosphine) palladium⁽⁰⁾; copper(l) iodide / tetrahydrofuran / 1 h / 100 °C / Microwave irradiation; Inert atmosphere

With oxalyl dichloride; iodine; diisobutylaluminium hydride; hydrazine hydrate; dimethyl sulfoxide; triethylamine; N-ethyl-N,N-diisopropylamine; lithium chloride; potassium hydroxide; copper(l) iodide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; trans-bis(triphenylphosphine)palladium dichloride; In tetrahydrofuran; 1,4-dioxane; 1,2-dimethoxyethane; dichloromethane; N,N-dimethyl-formamide; toluene; butan-1-ol;

upstream raw materials:

C₈H₉NO₄

Downstream raw materials:

2,4-dichloro-6-methylpyridine-3-carbaldehyde

2,4-Dichloro-3-hydroxymethyl-6-methylpyridine

4-chloro-3-iodo-6-methyl-1-trityl-1H-pyrazolo[4,3-c]pyridine

3-iodo-4-methoxy-6-methyl-1-trityl-1H-pyrazolo[4,3-c]pyridine

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