Aminocyclopyrachlor-methyl

Base Information

• Chemical Name: Aminocyclopyrachlor-methyl
• CAS No.: 858954-83-3
• Molecular Formula: C₉H₁₀ClN₃O₂
• Molecular Weight: 227.65
• European Community (EC) Number: 617-768-3
• UNII: 11I1T96362
• DSSTox Substance ID: DTXSID7074743
• Metabolomics Workbench ID: 62681
• Nikkaji Number: J2.695.866K
• Wikidata: Q27132479
• Mol file: 858954-83-3.mol

Synonyms:11I1T96362;858954-83-3;Aminocyclopyrachlor-methyl;UNII-11I1T96362;Methyl 6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylate;aminocyclopyrachlor methyl;Methyl 6-amino-5-chloro-2-cyclopropyl-4-pyrimidinecarboxylate;aminocyclopyrachlor methyl ester;DPX-KJM44;Aminocyclopyrachlor-methyl [ISO];DPX-KJM 44;4-amino-5-chloro-2-cyclopropyl-6-methoxycarbonylpyrimidine;CHEBI:63215;4-Pyrimidinecarboxylic acid, 6-amino-5-chloro-2-cyclopropyl-, methyl ester;4-AMINO-5-CHLORO-2-CYCLOPROPYL-6-(METHOXYCARBONYL)PYRIMIDINE;4-Pyrimidinecarboxylic acid, 6-amino-5-chloro-2-cyclopropyl-, methylester;SCHEMBL121762;DTXSID7074743;MDWRNPOBHVLALB-UHFFFAOYSA-N;6-amino-5-chloro-2-cyclopropyl-pyrimidine-4-carboxylic acid methyl ester;SB60664;BS-50620;AMINOCYCLOPYRACHLOR METHYL ESTER [MI];CS-0045854;NS00039079;Q27132479;methyl 6-amino-5-chloro-2-cyclopropyl-4-pyrimidine-carboxylate;Methyl6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylate;4-Amino-5-chloro-2-cyclopropyl-6-(methoxycarbonyl)pyrimidine;6-Amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylic acid methyl ester;Aminocyclopyrachlor Methyl;Aminocyclopyrachlor methyl ester;Methyl 6-amino-5-chloro-2-cyclopropyl-4-pyrimi

Chemical Property of Aminocyclopyrachlor-methyl

Chemical Property:

• Vapor Pressure: 4.89E-06mmHg at 25°C
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 227.0461543
• Heavy Atom Count: 15
• Complexity: 260

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC(=O)C1=C(C(=NC(=N1)C2CC2)N)Cl

Technology Process of Aminocyclopyrachlor-methyl

There total 5 articles about Aminocyclopyrachlor-methyl 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: 93.5%

6-amino-5-chloro-2-cyclopropyl-4-pyrimidinecarboxylic acid (858956-08-8) + carbonic acid dimethyl ester (616-38-6) → methyl 6-amino-5-chloro-2-cyclopropyl-4-pyrimidinecarboxylate (858954-83-3)

Guidance literature:

6-amino-5-chloro-2-cyclopropyl-4-pyrimidinecarboxylic acid; carbonic acid dimethyl ester; With sulfuric acid; In methanol; at 60 - 70 ℃; for 10.5h;

With sodium hydroxide; In water; at 10 - 15 ℃; pH=5 - 8; Product distribution / selectivity;

Reference yield: 92.0%

methanol (67-56-1) + ethyl 6-amino-5-chloro-2-cyclopropyl-4-pyrimidinecarboxylate (858954-79-7) + sodium methylate (124-41-4) → methyl 6-amino-5-chloro-2-cyclopropyl-4-pyrimidinecarboxylate (858954-83-3)

Guidance literature:

methanol; ethyl 6-amino-5-chloro-2-cyclopropyl-4-pyrimidinecarboxylate; sodium methylate; for 1h; Heating / reflux;

With hydrogenchloride; at 20 ℃; for 1.5h; Heating / reflux;

With ammonium chloride; at 20 ℃; for 0.166667h;

Reference yield: 81.0%

6-amino-5-chloro-2-cyclopropyl-4-pyrimidinecarboxylic acid (858956-08-8) + methyl bromide (74-83-9) → methyl 6-amino-5-chloro-2-cyclopropyl-4-pyrimidinecarboxylate (858954-83-3)

Guidance literature:

With tributyl-amine; In dimethyl sulfoxide; at 25 - 30 ℃; for 3.5h; Product distribution / selectivity;

upstream raw materials:

methanol

6-amino-5-chloro-2-cyclopropyl-4-pyrimidinecarboxylic acid

ethyl 6-amino-5-chloro-2-cyclopropyl-4-pyrimidinecarboxylate

sodium methylate