4,6-Pyrimidinediamine, monohydrochloride

Base Information

• Chemical Name: 4,6-Pyrimidinediamine, monohydrochloride
• CAS No.: 5468-67-7
• Molecular Formula: C4H7ClN4
• Molecular Weight: 146.579
• Hs Code.: 2933599090
• European Community (EC) Number: 226-788-8,622-111-9
• NSC Number: 15007
• UNII: 6PM8PHM86V
• DSSTox Substance ID: DTXSID2063927
• Mol file: 5468-67-7.mol

Synonyms:5468-67-7;Pyrimidine-4,6-diamine hydrochloride;4,6-Pyrimidinediamine, monohydrochloride;4,6-DIAMINOPYRIMIDINE HYDROCHLORIDE;79364-63-9;pyrimidine-4,6-diamine;hydrochloride;4,6-Diaminopyrimidine, hydrochloride;NSC 15007;6PM8PHM86V;Pyrimidine-4,6-diamine hydrochloride(1:x);4,6-Pyrimidinediamine, hydrochloride (1:1);EINECS 226-788-8;NSC-15007;4,6-pyrimidinediamine hydrochloride;4, hydrochloride;C4H6N4.ClH;UNII-6PM8PHM86V;C4-H6-N4.Cl-H;SCHEMBL1313405;DTXSID2063927;NSC15007;(-)-LEUKOTRIENEA4METHYLESTER;4,6-diamino-pyrimidine hydrochloride;4, 6-diamino-pyrimidine hydrochloride;AKOS024333049

Chemical Property of 4,6-Pyrimidinediamine, monohydrochloride

Chemical Property:

• Vapor Pressure: 1.73E-05mmHg at 25°C
• Boiling Point: 364 °C at 760 mmHg
• Flash Point: 201.5 °C
• PSA: 77.82000
• LogP: 1.60540
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 146.0359239
• Heavy Atom Count: 9
• Complexity: 66.4

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(N=CN=C1N)N.Cl

Technology Process of 4,6-Pyrimidinediamine, monohydrochloride

There total 1 articles about 4,6-Pyrimidinediamine, monohydrochloride 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: 96.0%

4,6-diaminopyrimidine-2-sulfinic acid (40070-06-2) → 4,6-diaminopyrimidine hydrochloride (5468-67-7,79364-63-9)

Guidance literature:

With hydrogenchloride; In water; for 0.5h;

DOI:10.1080/15257770903054241

Reference yield: 82.0%

4,6-diaminopyrimidine hydrochloride (5468-67-7,79364-63-9) → 4,6-diamino-5-nitrosylpyrimidine (61908-15-4)

Guidance literature:

With hydrogenchloride; sodium nitrite; In water;

Reference yield:

8-chloro-3-(chloromethyl)-2-(2-chloro-phenyl)quinoline (1064137-23-0) + 4,6-diaminopyrimidine hydrochloride (5468-67-7,79364-63-9) → N4-((8-chloro-2-(2-chlorophenyl)quinolin-3-yl)-methyl)pyrimidine-4,6-diamine (1064577-87-2)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In ethanol; at 80 ℃; for 96h;

upstream raw materials:

4,6-diaminopyrimidine-2-sulfinic acid

Downstream raw materials:

4,6-diamino-5-nitrosylpyrimidine

N₄-((8-chloro-2-(2-chlorophenyl)quinolin-3-yl)-methyl)pyrimidine-4,6-diamine

Refernces