5-Amino-4-chloropyrimidine

Base Information

• Chemical Name: 5-Amino-4-chloropyrimidine
• CAS No.: 54660-78-5
• Molecular Formula: C4H4ClN3
• Molecular Weight: 129.549
• Hs Code.: 29335990
• European Community (EC) Number: 640-720-8
• DSSTox Substance ID: DTXSID20539706
• Nikkaji Number: J3.458.255F
• Wikidata: Q72434908
• Mol file: 54660-78-5.mol

Synonyms:5-Amino-4-chloropyrimidine;54660-78-5;4-chloropyrimidin-5-amine;4-chloranylpyrimidin-5-amine;MFCD06412561;5-Pyrimidinamine, 4-chloro-;4-Chloro-5-aminopyrimidine;4-chloro-5-amino-pyrimidine;5-amino-6-chloropyrimidine;4-Chloropyrimidin-5-ylamine;5-amino -4-chloropyrimidine;SCHEMBL655022;DTXSID20539706;LHGMCUVJFRBVBH-UHFFFAOYSA-N;5-Amino-4-chloropyrimidine, 97%;AKOS006280309;CS-W005614;SB57472;AS-17849;SY009689;AM20100347;EN300-159656;A830302;J-515197

Chemical Property of 5-Amino-4-chloropyrimidine

Chemical Property:

• Vapor Pressure: 0.0179mmHg at 25°C
• Melting Point: 110-116℃
• Refractive Index: 1.617
• Boiling Point: 253.8 °C at 760 mmHg
• PKA: 1.30±0.16(Predicted)
• Flash Point: 107.3 °C
• PSA: 51.80000
• Density: 1.437 g/cm³
• LogP: 1.29340
• Storage Temp.: 2-8°C
• Sensitive.: Air & Light Sensitive
• 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: 77.7

Purity/Quality:

99% ^*data from raw suppliers

4-Chloro-5-aminopyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5-Amino-4-chloropyrimidine

There total 3 articles about 5-Amino-4-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: 47.0%

4-chloro-5-amino-6-mercaptopyrimidine (54851-35-3) → 5-amino-4-chloropyrimidine (54660-78-5)

Guidance literature:

With ammonia; water; nickel; In ethanol; at 20 - 80 ℃;

Reference yield: 9.9%

5-amino-6-chloropyrimidin-4(1H)-thione hydrochloride → 5-amino-4-chloropyrimidine (54660-78-5)

Guidance literature:

With ammonia; In methanol; at 80 ℃; Inert atmosphere;

Reference yield:

5-amino-6-chloro-3H-pyrimidine-4-thione (54851-35-3) → 5-amino-4-chloropyrimidine (54660-78-5)

Guidance literature:

With ammonium hydroxide; nickel;

upstream raw materials:

5-amino-6-chloro-3H-pyrimidine-4-thione

4-chloro-5-amino-6-mercaptopyrimidine

Downstream raw materials:

4-chloro-N-(4-chloro-5-pyrimidinyl)-3-cyanobenzamide

4-chloro-N-methylpyrimidine-5-amine

2-(4-chloropyrimidin-5-yl)isoindoline-1,3-dione

5-amino-3H-pyrimidine-4-thione

Refernces

• 1、 -. "PREPARATION OF POLYMER CONJUGATES OF THERAPEUTIC, AGRICULTURAL, AND FOOD ADDITIVE COMPOUNDS". Page/Page column 88. . Retrieved 2010/11/25.
• 2、 -. "IMIDAZOLONE PHENYLALANINE DERIVATIVES AS VLA-4 ANTAGONISTS". Page/Page column 61; 89. . Retrieved 2010/11/25.