5-Amino-2-chloropyrimidine

Base Information

• Chemical Name: 5-Amino-2-chloropyrimidine
• CAS No.: 56621-90-0
• Molecular Formula: C4H4ClN3
• Molecular Weight: 129.549
• Hs Code.: 29339900
• European Community (EC) Number: 695-808-9
• DSSTox Substance ID: DTXSID60480849
• Wikidata: Q72434905
• Mol file: 56621-90-0.mol

Synonyms:5-Amino-2-chloropyrimidine;56621-90-0;2-Chloropyrimidin-5-amine;2-CHLORO-5-AMINOPYRIMIDINE;MFCD06412560;2-Chloro-pyrimidin-5-ylamine;5-PYRIMIDINAMINE, 2-CHLORO-;5-amino-2-chloro pyrimidine;SCHEMBL40450;DTXSID60480849;DZBKIOJXVOECRA-UHFFFAOYSA-N;BCP23418;AKOS006280308;AC-4602;CS-W005338;PB21893;PS-4730;5-amino-2-chloropyrimidine, AldrichCPR;SY013941;A8105;AM20100394;FT-0640401;EN300-121402;Q-102843

Chemical Property of 5-Amino-2-chloropyrimidine

Chemical Property:

• Melting Point: 198-199℃
• Refractive Index: 1.617
• Boiling Point: 338.8 °C at 760 mmHg
• PKA: -0.08±0.10(Predicted)
• Flash Point: 158.7 °C
• PSA: 51.80000
• Density: 1.437 g/cm³
• LogP: 1.29340
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 129.0093748
• Heavy Atom Count: 8
• Complexity: 69.7

Purity/Quality:

99% ^*data from raw suppliers

5-Amino-2-chloropyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36-36/37/38
• Safety Statements: 26-36/37/39-22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=NC(=N1)Cl)N
• Uses: 5-Amino-2-chloropyrimidine is an aminopyrimidine derivative, a fibroblast growth factor receptor 4 inhibitor with anticancer activity.

Technology Process of 5-Amino-2-chloropyrimidine

There total 3 articles about 5-Amino-2-chloropyrimidine 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: 98.0%

2-Chloro-5-nitropyrimidine (10320-42-0) → 2-chloro-5-aminopyrimidine (56621-90-0)

Guidance literature:

With ethanol; iron; acetic acid; for 6h; Reflux;

DOI:10.1016/j.tet.2014.06.062

Reference yield:

2-hydroxy-5-nitropyrimidine (3264-10-6) → 2-chloro-5-aminopyrimidine (56621-90-0)

Guidance literature:

With trichlorophosphate; In ethyl acetate;

Reference yield:

→ 2-chloro-5-aminopyrimidine (56621-90-0)

Guidance literature:

Pyrimidin-Derivat Ij, aq K2CO3;

upstream raw materials:

2-Chloro-5-nitropyrimidine

2-hydroxy-5-nitropyrimidine

Downstream raw materials:

2-chloropyrimidine-5-ol

4-chloro-N-(2-chloropyrimidin-5-yl)-3-fluorobenzamide

3-chloro-N-(2-chloropyrimidin-5-yl)-benzamide

N-(2-chloropyrimidin-5-yl)-3-trifluoromethylbenzamide