Aminocyclopyrachlor

Base Information

• Chemical Name: Aminocyclopyrachlor
• CAS No.: 858956-08-8
• Molecular Formula: C₈H₈ClN₃O₂
• Molecular Weight: 213.623
• Hs Code.: 2933599020
• European Community (EC) Number: 617-769-9
• UNII: O19K7667GO
• DSSTox Substance ID: DTXSID0074683
• Metabolomics Workbench ID: 62519
• Nikkaji Number: J2.695.865B
• Wikidata: Q4746454
• Wikipedia: Aminocyclopyrachlor
• Mol file: 858956-08-8.mol

Synonyms:6-amino-5-chloro-2-cyclopropyl-4-pyrimidinecarboxylic acid;aminocyclopyrachlor

Chemical Property of Aminocyclopyrachlor

Chemical Property:

• Vapor Pressure: 3.06E-08mmHg at 25°C
• Boiling Point: 432.3°C at 760 mmHg
• PKA: 7.04±0.10(Predicted)
• Flash Point: 215.3°C
• PSA: 89.83000
• Density: 1.635g/cm³
• LogP: 1.21790
• Storage Temp.: Keep in dark place,Sealed in dry,Store in freezer, under -20°C
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 213.0305042
• Heavy Atom Count: 14
• Complexity: 247

Purity/Quality:

99.9% ^*data from raw suppliers

6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Statements: 52/53
• Safety Statements: 61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1C2=NC(=C(C(=N2)N)Cl)C(=O)O

Technology Process of Aminocyclopyrachlor

There total 2 articles about Aminocyclopyrachlor 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:

5,6-dichloro-2-cyclopropyl-4-pyrimidinecarboxylic acid → 6-amino-5-chloro-2-cyclopropyl-4-pyrimidinecarboxylic acid (858956-08-8)

Guidance literature:

5,6-dichloro-2-cyclopropyl-4-pyrimidinecarboxylic acid; With ammonia; In water; at 80 ℃; for 5h;

With hydrogenchloride; In water; at 20 ℃; pH=2;

Reference yield:

2-cyclopropyl-1,6-dihydro-6-oxo-4-pyrimidinecarboxylic acid → 6-amino-5-chloro-2-cyclopropyl-4-pyrimidinecarboxylic acid (858956-08-8)

Guidance literature:

Multi-step reaction with 3 steps

1: sodium hypochlorite; hydrogenchloride / water / 1 h / 15 - 25 °C

2: trichlorophosphate / 3 h / 85 °C

3: ammonia / water / 3 h / 80 °C

With hydrogenchloride; sodium hypochlorite; ammonia; trichlorophosphate; In water;

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;

Downstream raw materials:

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

Refernces

• 1、 -. "METHOD FOR PREPARATION OF OPTIONALLY 2-SUBSTITUTED 1,6-DIHYDRO-6-OXO-4-PYRIMIDINECARBOXYLIC ACIDS". Page/Page column 25. . Retrieved 2008/06/13.