6-Chloro-N4-propyl-4,5-pyrimidinediamine

Base Information

• Chemical Name: 6-Chloro-N4-propyl-4,5-pyrimidinediamine
• CAS No.: 195252-56-3
• Molecular Formula: C7H11ClN4
• Molecular Weight: 186.64
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID80428061
• Nikkaji Number: J1.806.813C
• Wikidata: Q82240832
• Mol file: 195252-56-3.mol

Synonyms:195252-56-3;6-Chloro-N4-propyl-4,5-pyrimidinediamine;6-Chloro-N4-propylpyrimidine-4,5-diamine;6-chloro-4-N-propylpyrimidine-4,5-diamine;6-Chloro-N-4-propyl-4,5-pyrimidinediamine;6-Chloro-N4-propyl-pyrimidine-4,5-diamine;MFCD07440144;C7H11ClN4;SCHEMBL4057859;DTXSID80428061;GYPKKOOUKYMZRZ-UHFFFAOYSA-N;IFLAB-BB F2124-0088;AKOS002666355;DS-0418;SB57791;AM807316;N-Propyl-6-chloropyrimidine-4,5-diamine;4,5-Pyrimidinediamine,6-chloro-N4-propyl-;CS-0187211;FT-0648466;6-Chloro-N~4~-propylpyrimidine-4,5-diamine;A849154;6-Chloro-N4-propyl-4 pound not5-pyrimidinediamine;J-518627;F2124-0088;(1,1-DIOXIDO-3-OXO-1,2-BENZISOTHIAZOL-2(3H)-YL)ACETICACID

Chemical Property of 6-Chloro-N4-propyl-4,5-pyrimidinediamine

Chemical Property:

• Boiling Point: 340.8 °C at 760 mmHg
• Flash Point: 159.9 °C
• PSA: 63.83000
• Density: 1.309 g/cm³
• LogP: 2.18830
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 186.0672241
• Heavy Atom Count: 12
• Complexity: 133

Purity/Quality:

98%,99%, ^*data from raw suppliers

6-Chloro-n4-propyl-4,5-pyrimidinediamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCNC1=C(C(=NC=N1)Cl)N

Technology Process of 6-Chloro-N4-propyl-4,5-pyrimidinediamine

There total 2 articles about 6-Chloro-N4-propyl-4,5-pyrimidinediamine 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%

propylamine (107-10-8,42939-71-9) + 5-amino-4,6-dichloropyridimine (5413-85-4) → 4,5-diamino-6-chloro-N4-propylpyrimidine (195252-56-3)

Guidance literature:

With triethylamine; In ethanol; at 80 ℃; for 8h;

DOI:10.1016/j.ejmech.2018.03.067

Reference yield: 68.0%

(6-chloro-5-nitro-pyrimidin-4-yl)-propyl-amine (326831-74-7) → 4,5-diamino-6-chloro-N4-propylpyrimidine (195252-56-3)

Guidance literature:

With tin(ll) chloride; In ethanol; for 1h; Heating;

DOI:10.1016/S0040-4020(02)00867-0

Reference yield: 29.0%

ethanol (64-17-5) + N,N-dimethyl acetamide (127-19-5,116057-81-9) + 4,5-diamino-6-chloro-N4-propylpyrimidine (195252-56-3) → 6-ethoxy-8-methyl-9-(n-propyl)-9H-purine (492464-39-8)

Guidance literature:

With sodium hydride; at 95 ℃; for 24h;

DOI:10.1016/S0040-4020(02)00867-0

upstream raw materials:

propylamine

5-amino-4,6-dichloropyridimine

(6-chloro-5-nitro-pyrimidin-4-yl)-propyl-amine

Downstream raw materials:

6-chloro-9-propyl-9H-purine

6-ethoxy-8-methyl-9-(n-propyl)-9H-purine

8-phenyl-9-propyl-6-(tetrahydrofuran-3-ylamino)-9H-purine

Refernces

• 1、 Lambertucci, Catia,Marucci, Gabriella,Dal Ben, Diego,Buccioni, Michela,Spinaci, Andrea,Kachler, Sonja,Klotz, Karl-Norbert,Volpini, Rosaria. "New potent and selective A1 adenosine receptor antagonists as potential tools for the treatment of gastrointestinal diseases". . p. 199 - 213. Retrieved 2018/04/05.
• 2、 -. "PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA". Page/Page column 175. . Retrieved 2014/06/11.