Methyl 2-chloro-6-methylpyrimidine-4-carboxylate

Base Information

• Chemical Name: Methyl 2-chloro-6-methylpyrimidine-4-carboxylate
• CAS No.: 89793-11-3
• Molecular Formula: C7H7ClN2O2
• Molecular Weight: 186.598
• Hs Code.: 2933599090
• European Community (EC) Number: 672-864-2
• DSSTox Substance ID: DTXSID10371637
• Nikkaji Number: J2.315.183I
• Wikidata: Q72489335
• Mol file: 89793-11-3.mol

Synonyms:Methyl 2-chloro-6-methylpyrimidine-4-carboxylate;89793-11-3;methyl 2-chloro-6-methyl-pyrimidine-4-carboxylate;MFCD00117906;methyl 2-chloro-4-methylpyrimidine-6-carboxylate;4-PYRIMIDINECARBOXYLIC ACID, 2-CHLORO-6-METHYL-, METHYL ESTER;Methyl2-chloro-6-methylpyrimidine-4-carboxylate;SCHEMBL350485;DTXSID10371637;ZNPORLVPCMFKOR-UHFFFAOYSA-N;AKOS005135922;AB03487;PS-3558;CS-10727;SY162695;2-chloro-4-carbomethoxy-6-methylpyrimidine;CS-0045865;FT-0628836;A19277;EN300-192738;F14791;methyl 2-chloro-6-methylpyrimidine 4-carboxylate;methyl-2-chloro-6-methylpyrimidine-4-carboxylate;J-640173;J-800175;J-800177;Methyl 2-chloro-6-methylpyrimidine-4-carboxylate, 97%;Z1157726197;2-chloro-6-methylpyrimidine-4-carboxylic acid methyl ester;2-CHLORO-6-METHYL-PYRIMIDINE-4-CARBOXYLIC ACID METHYL ESTER

Chemical Property of Methyl 2-chloro-6-methylpyrimidine-4-carboxylate

Chemical Property:

• Vapor Pressure: 0.000768mmHg at 25°C
• Melting Point: 111-113°C
• Refractive Index: 1.53
• Boiling Point: 306.5 °C at 760 mmHg
• PKA: -3.06±0.30(Predicted)
• Flash Point: 139.2 °C
• PSA: 52.08000
• Density: 1.314 g/cm³
• LogP: 1.22500
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 186.0196052
• Heavy Atom Count: 12
• Complexity: 177

Purity/Quality:

97% ^*data from raw suppliers

Methyl 2-chloro-6-methylpyrimidine-4-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 2-chloro-6-methylpyrimidine-4-carboxylate

There total 1 articles about Methyl 2-chloro-6-methylpyrimidine-4-carboxylate 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:

→ methyl 2-chloro-6-methylpyrimidine-4-carboxylate (89793-11-3)

Guidance literature:

2-Hydroxy-6-methyl-pyrimidin-carbonsaeure-(4)-methylester, Hanrnstoff, POCl3(15 min Siedetemp.);

Reference yield: 89.0%

4-methoxyphenylboronic acid (5720-07-0) + methyl 2-chloro-6-methylpyrimidine-4-carboxylate (89793-11-3) → methyl 2-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxylate

Guidance literature:

With potassium carbonate; bis(di-tert-?butyl(4-?dimethylaminophenyl)?phosphine)?dichloropalladium(II); In water; toluene; for 12h; Heating;

DOI:10.1021/ol060268g

Reference yield: 88.0%

(±)-2-(2-(trifluoromethyl)phenyl)-2,7-diazaspiro[4.4]nonane + methyl 2-chloro-6-methylpyrimidine-4-carboxylate (89793-11-3) → (±)-methyl 6-methyl-2-(7-(2-(trifluoromethyl)phenyl)-2,7-diazaspiro[4.4]nonan-2-yl)pyrimidine-4-carboxylate

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; for 16h; Inert atmosphere; Reflux;

DOI:10.1021/acs.jmedchem.0c00996

Downstream raw materials:

N-(2-Bromo-4-(1-Methylethyl)Phenyl)-N-Ethyl-4-Methyl-6-(Hydroxymethyl)-2-Pyrimidinamine

methyl 2-((2-bromo-4-(1-methylethyl)phenyl)ethylamino)-6-methyl-4-pyrimidinecarboxylate

N-(2-bromo-4-(1-methylethyl)phenyl)-N-ethyl-4-carboxy-6-methylpyrimidinamine

2-(N-(2-bromo-4-isopropylphenyl)-N-ethyl)-6-methyl-4-(methanesulfonyloxy-methyl)pyrimidin-2-amine