6-Chloro-5-fluoropyrimidin-4-amine

Base Information

• Chemical Name: 6-Chloro-5-fluoropyrimidin-4-amine
• CAS No.: 851984-15-1
• Molecular Formula: C4H3ClFN3
• Molecular Weight: 147.539
• Hs Code.: 2933599090
• European Community (EC) Number: 862-660-3
• DSSTox Substance ID: DTXSID30705379
• Wikidata: Q72451463
• Mol file: 851984-15-1.mol

Synonyms:851984-15-1;6-Chloro-5-fluoropyrimidin-4-amine;4-Amino-6-chloro-5-fluoropyrimidine;4-Pyrimidinamine, 6-chloro-5-fluoro-;MFCD14706712;6-Chloro-5-fluoro-4-pyrimidinamine;4-CHLORO-5-FLUORO-6-AMINOPYRIMIDINE;SCHEMBL793968;AMY882;DTXSID30705379;FEIFDRDCVMVUJA-UHFFFAOYSA-N;BBL101466;CX1352;STL555262;4-amino-6-chloro-5-fluoro pyrimidine;6-chloro-5-fluoropyrimidine-4-ylamine;AKOS005259452;SB16107;AS-18572;SY031240;CS-0030391;FT-0699070;6-CHLORO-5-FLUORO-PYRIMIDIN-4-YLAMINE;EN300-7398096;A852015;6-chloro-5-fluoropyrimidin-4-amine

Chemical Property of 6-Chloro-5-fluoropyrimidin-4-amine

Chemical Property:

• Boiling Point: 275.2±35.0℃ (760 Torr)
• PKA: 0.27±0.10(Predicted)
• Flash Point: 120.3±25.9℃
• PSA: 51.80000
• Density: 1.564±0.06 g/cm3 (20 oC 760 Torr)
• LogP: 1.43250
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• 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:

98%, ^*data from raw suppliers

4-Amino-6-chloro-5-fluoropyrimidine ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 6-Chloro-5-fluoropyrimidin-4-amine

There total 2 articles about 6-Chloro-5-fluoropyrimidin-4-amine 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: 94.0%

→ 6-chloro-5-fluoropyrimidin-4-ylamine (851984-15-1)

Guidance literature:

Reference yield: 89.0%

4,6-dichloro-5-fluoropyrimidine (213265-83-9) → 6-chloro-5-fluoropyrimidin-4-ylamine (851984-15-1)

Guidance literature:

With ammonium hydroxide; In butan-1-ol; at 90 ℃; for 2h;

Reference yield: 83.0%

6-chloro-5-fluoropyrimidin-4-ylamine (851984-15-1) + trans-3-((3-chloro-5-(trifluoromethyl)phenyl)amino)-2-oxo-[1,3'-bipiperidine]-4'-carboxamide → trans-1'-(6-amino-5-fluoropyrimidin-4-yl)-3-((3-chloro-5-(trifluoromethyl)phenyl)amino)-2-oxo-[1,3'-bipiperidine]-4'-carboxamide (1510829-06-7)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In butan-1-ol; at 120 ℃; for 16h;

upstream raw materials:

4,6-dichloro-5-fluoropyrimidine

Downstream raw materials:

(3'R,5'S)-1'-(6-amino-5-fiuoropyrimidin-4-yl)-3-(3-chloro-5-fluorophenylamino)-5'-fluoro-1,3'-bipiperidin-2-one

C₂₀H₂₃Cl₂FN₆O₂

1-(4-(6-amino-5-fluoropyrimidin-4-yl)-1,4-oxazepan-6-yl)-3-(3-chloro-5-fluorophenylamino)piperidin-2-one

2,6-dichloro-N-(6-chloro-5-fluoropyrimidin-4-yl)benzamide