n4-Butyl-6-chloropyrimidine-4,5-diamine

Base Information

• Chemical Name: n4-Butyl-6-chloropyrimidine-4,5-diamine
• CAS No.: 41259-67-0
• Molecular Formula: C8H13ClN4
• Molecular Weight: 200.67
• Hs Code.: 2933599090
• NSC Number: 19203
• DSSTox Substance ID: DTXSID50280956
• Nikkaji Number: J1.806.814A
• Wikidata: Q82014657
• Mol file: 41259-67-0.mol

Synonyms:n4-butyl-6-chloropyrimidine-4,5-diamine;41259-67-0;4-N-butyl-6-chloropyrimidine-4,5-diamine;N4-Butyl-6-chloro-pyrimidine-4,5-diamine;NSC19203;SCHEMBL14466445;DTXSID50280956;AMY21270;NSC 19203;NSC-19203;STK779375;AKOS001746741;SB60282;N-Butyl-6-chloropyrimidine-4,5-diamine;CS-0327407;N~4~-butyl-6-chloropyrimidine-4,5-diamine;N'4'-Butyl-6-chloro-pyrimidine-4,5-diamine;Pyrimidine-5-amine, 4-butylamino, 6-chloro-;A25993;F2124-0087

Chemical Property of n4-Butyl-6-chloropyrimidine-4,5-diamine

Chemical Property:

• Boiling Point: 351.7 °C at 760 mmHg
• Flash Point: 166.5 °C
• PSA: 63.83000
• Density: 1.261 g/cm³
• LogP: 2.57840
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 200.0828741
• Heavy Atom Count: 13
• Complexity: 144

Purity/Quality:

99% ^*data from raw suppliers

N4-Butyl-6-chloropyrimidine-4,5-diamine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCNC1=C(C(=NC=N1)Cl)N

Technology Process of n4-Butyl-6-chloropyrimidine-4,5-diamine

There total 3 articles about n4-Butyl-6-chloropyrimidine-4,5-diamine 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: 83.0%

5-amino-4,6-dichloropyridimine (5413-85-4) + N-butylamine (109-73-9,85404-21-3) → N4-butyl-6-chloropyrimidine-4,5-diamine (41259-67-0)

Guidance literature:

With triethylamine; In butan-1-ol; at 90 ℃; for 16h;

DOI:10.1021/jm0503087

Reference yield: 61.0%

butyl-(6-chloro-5-nitro-pyrimidin-4-yl)-amine (492464-18-3) → N4-butyl-6-chloropyrimidine-4,5-diamine (41259-67-0)

Guidance literature:

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

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

Reference yield:

→ N4-butyl-6-chloropyrimidine-4,5-diamine (41259-67-0)

Guidance literature:

/BRN= 7705/;

DOI:10.1021/ja01535a041

upstream raw materials:

5-amino-4,6-dichloropyridimine

N-butylamine

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

Downstream raw materials:

3-(6-(butylamino)-4-chloropyrimidin-5-ylamino)cyclohex-2-enone

9-butyl-8-(3-methoxybenzyl)-9H-purin-6-ylamine

9-butyl-8-(3,4,5-trimethoxy-benzyl)-9H-purin-6-ylamine

N-(4-butylamino-6-chloropyrimidin-5-yl)-2-(2,5-dimethoxyphenyl)acetamide

Refernces

• 1、 Dymock, Brian,Barril, Xavier,Beswick, Mandy,Collier, Adam,Davies, Nicholas,Drysdale, Martin,Fink, Alexandra,Fromont, Christophe,Hubbard, Roderick E.,Massey, Andrew,Surgenor, Allan,Wright, Lisa. "Adenine derived inhibitors of the molecular chaperone HSP90 - SAR explained through multiple X-ray structures". . p. 325 - 328. Retrieved 2007/10/03.
• 2、 Kelley, James L.,Morris Bullock,Krochmal, Mark P.,McLean, Ed W.,Linn, James A.,Durcan, Micheal J.,Cooper, Barrett R.. "6-(alkylamino)-9-alkylpurines. A new class of potential antipsychotic agents". . p. 3207 - 3216. Retrieved 2007/10/03.