4-Amino-2-chloro-5-fluoropyrimidine

Base Information

• Chemical Name: 4-Amino-2-chloro-5-fluoropyrimidine
• CAS No.: 155-10-2
• Molecular Formula: C4H3ClFN3
• Molecular Weight: 147.539
• Hs Code.: 29335995
• European Community (EC) Number: 625-110-1
• NSC Number: 78716
• DSSTox Substance ID: DTXSID70291847
• Nikkaji Number: J429.867E
• Wikidata: Q72434426
• Mol file: 155-10-2.mol

Synonyms:4-Amino-2-chloro-5-fluoropyrimidine;155-10-2;2-chloro-5-fluoropyrimidin-4-amine;2-chloro-4-amino-5-fluoropyrimidine;2-Chloro-5-fluoro-pyrimidin-4-ylamine;4-Pyrimidinamine, 2-chloro-5-fluoro-;MFCD00057344;NSC78716;2-chloro-5-fluoro-4-aminopyrimidine;2-chloro-5-fluoro-pyrimidin-4-amine;2-chloro-5-fluoropyrimidin-4-ylamine;2-chloro-5-fluoropyrimidine-4-ylamine;NCIOpen2_000951;SCHEMBL1143136;DTXSID70291847;CHEBI:194589;2-Chlor-4-amino-5-fluorpyrimidin;2-chloro-5-luoropyrimidin-4-amine;NSC-78716;STL376308;AKOS000104194;AC-3117;CS-W018200;PS-6408;SB16099;SY003886;AM20080400;FT-0602402;EN300-220193;W-205779

Chemical Property of 4-Amino-2-chloro-5-fluoropyrimidine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 193.0 to 197.0 °C
• Refractive Index: 1.584
• Boiling Point: 318.463 ºC at 760 mmHg
• PKA: 0.96±0.10(Predicted)
• Flash Point: 146.401 ºC
• PSA: 51.80000
• Density: 1.564 g/cm³
• LogP: 1.43250
• Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
• Solubility.: soluble in Dimethylformamide
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 146.9999530
• Heavy Atom Count: 9
• Complexity: 102

Purity/Quality:

99% ^*data from raw suppliers

4-Amino-2-chloro-5-fluoropyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=NC(=N1)Cl)N)F

Technology Process of 4-Amino-2-chloro-5-fluoropyrimidine

There total 2 articles about 4-Amino-2-chloro-5-fluoropyrimidine 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: 100.0%

2,4-dichloro-5-fluoropyrimidine (2927-71-1) → 2-chloro-5-fluoropyrimidin-4-amine (155-10-2)

Guidance literature:

With ammonium hydroxide; at 60 - 70 ℃; for 2.5h;

Reference yield:

→ 2-chloro-5-fluoropyrimidin-4-amine (155-10-2)

Guidance literature:

2.4-Dichlor-5-fluorpyrimidin 1, NH3;

Reference yield: 92.0%

4-phenyl-1-piperazine (92-54-6) + 2-chloro-5-fluoropyrimidin-4-amine (155-10-2) → 5-fluoro-2-(4-phenyl-piperazin-1-yl)-pyrimidin-4-ylamine

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In isopropyl alcohol; at 160 ℃; for 0.5h; Irradiation;

DOI:10.1016/S0040-4039(02)01190-5

upstream raw materials:

2,4-dichloro-5-fluoropyrimidine

Downstream raw materials:

5-Fluoro-N₂-[1-(2-phenyl-ethanesulfonyl)-piperidin-4-ylmethyl]-pyrimidine-2,4-diamine

2-(3-Bromobenzyloxy)-5-fluoropyrimidin-4-ylamine

5-fluoro-2-[1-(4-fluorophenyl)ethoxy]pyrimidin-4-ylamine

5-fluoro-2-(4-fluorophenylmethoxy)pyrimidin-4 amine

Refernces

• 1、 -. "ISOXAZOLIDINES AS RIPK1 INHIBITORS AND USE THEREOF". Page/Page column 167. . Retrieved 2021/12/31.
• 2、 Kovalenko, A. L.,Krutikov, V. I.,Zolotukhina, M. M.,Alekseeva, L. E.. "SYNTHESIS AND AMINATION OF 2,4-DICHLORO-5-FLUOROPYRIMIDINE". . p. 1122 - 1125. Retrieved 2007/10/02.