Methyl 2-chloro-5-methylnicotinate

Base Information

• Chemical Name: Methyl 2-chloro-5-methylnicotinate
• CAS No.: 65169-43-9
• Molecular Formula: C8H8ClNO2
• Molecular Weight: 185.61
• Hs Code.: 2933399090
• European Community (EC) Number: 856-558-8
• DSSTox Substance ID: DTXSID80469797
• Wikidata: Q82297663
• Mol file: 65169-43-9.mol

Synonyms:Methyl 2-chloro-5-methylnicotinate;65169-43-9;methyl 2-chloro-5-methylpyridine-3-carboxylate;2-CHLORO-5-METHYL-NICOTINIC ACID METHYL ESTER;methyl2-chloro-5-methylnicotinate;SCHEMBL3732128;DTXSID80469797;FOKUGIKLNXFRTI-UHFFFAOYSA-N;methyl 2-chloro-5-methylnicotinoate;MFCD07375372;AKOS006287517;AB41818;TS-02586;2-chloro-5-methylnicotinic acid methyl ester;CS-0019270;FT-0727038;EN300-194507;Methyl 2-chloro-5-methylnicotinate, AldrichCPR;N12495;A867732;Z1198173149

Chemical Property of Methyl 2-chloro-5-methylnicotinate

Chemical Property:

• Boiling Point: 270.1±35.0 °C(Predicted)
• PKA: -0.99±0.10(Predicted)
• PSA: 39.19000
• Density: 1.247±0.06 g/cm3(Predicted)
• LogP: 1.83000
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 185.0243562
• Heavy Atom Count: 12
• Complexity: 174

Purity/Quality:

98%min ^*data from raw suppliers

Methyl 2-chloro-5-methylnicotinate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(N=C1)Cl)C(=O)OC

Technology Process of Methyl 2-chloro-5-methylnicotinate

There total 5 articles about Methyl 2-chloro-5-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: 93.4%

→ 2-chloro-5-methylnicotinic acid methyl ester (65169-43-9)

Guidance literature:

Reference yield: 87.0%

dihydroxy-methyl-borane (13061-96-6) + methyl 2-chloro-5-bromonicotinate (78686-79-0) → 2-chloro-5-methylnicotinic acid methyl ester (65169-43-9)

Guidance literature:

With potassium phosphate; palladium diacetate; tricyclohexylphosphine; In water; toluene; at 100 ℃;

Reference yield: 66.0%

methanol (67-56-1) + 2-chloro-5-methylnicotinamide (65169-45-1) → 2-chloro-5-methylnicotinic acid methyl ester (65169-43-9)

Guidance literature:

With boron trifluoride diethyl etherate; for 17h; Heating;

DOI:10.1080/00397910500516134

upstream raw materials:

methanol

2-chloro-5-methylnicotinamide

2-chloro-5-methylpyridine-3-carbonitrile

2-chloro-5-methyl-3-pyridinecarboxylic acid

Downstream raw materials:

2-chloro-5-methyl-3-pyridinecarboxylic acid

methyl 2-phenylpyridine-3-carboxylate

Refernces

• 1、 -. "AMINO NICOTINIC AND ISONICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS". Page/Page column 26. . Retrieved 2008/12/06.
• 2、 Kagabu, Shinzo. "Methyl, trifluoromethyl, and methoxycarbonyl - Introduction to the fifth position on the pyridine ring of chloronicotinyl insecticide imidacloprid". . p. 1235 - 1245. Retrieved 2007/10/03.