2-Chloro-8-isopentyl-7-methyl-7,8-dihydropteridin-6(5H)-one

Base Information

• Chemical Name: 2-Chloro-8-isopentyl-7-methyl-7,8-dihydropteridin-6(5H)-one
• CAS No.: 501439-14-1
• Molecular Formula: C12H17ClN4O
• Molecular Weight: 268.746
• Hs Code.: 2933990090
• Mol file: 501439-14-1.mol

Synonyms:6(5H)-pteridinone, 2-chloro-7,8-dihydro-7-methyl-8-(3-methylbutyl)-;

Chemical Property of 2-Chloro-8-isopentyl-7-methyl-7,8-dihydropteridin-6(5H)-one

Chemical Property:

• Vapor Pressure: 4.12E-09mmHg at 25°C
• Refractive Index: 1.53
• Boiling Point: 472.9 °C at 760 mmHg
• PKA: 10.57±0.40(Predicted)
• Flash Point: 239.8 °C
• PSA: 58.12000
• Density: 1.19 g/cm³
• LogP: 2.52610
• Storage Temp.: 2-8°C

Purity/Quality:

97% ^*data from raw suppliers

2-Chloro-7-methyl-8-(3-methylbutyl)-7,8-dihydro-5H-pteridin-6-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-Chloro-8-isopentyl-7-methyl-7,8-dihydropteridin-6(5H)-one

There total 8 articles about 2-Chloro-8-isopentyl-7-methyl-7,8-dihydropteridin-6(5H)-one 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: 79.0%

ethyl N-(2-chloro-5-nitropyrimidin-4-yl)-N-isopentylalaninate → 2-chloro-7-methyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one (501439-14-1)

Guidance literature:

With iron; acetic acid; at 70 - 100 ℃; for 0.5h;

DOI:10.1016/j.bmc.2019.115303

Reference yield: 61.0%

methyl N-(2-chloro-5-nitropyrimidin-4-yl)-N-(3-methylbutyl)alaninate (1435462-61-5) → 2-chloro-7-methyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one (501439-14-1)

Guidance literature:

methyl N-(2-chloro-5-nitropyrimidin-4-yl)-N-(3-methylbutyl)alaninate; With iron; acetic acid; at 60 ℃; for 2h;

With sodium hydrogencarbonate; In water; ethyl acetate;

Reference yield:

N-phenylmethyl-N-3-methylbutaneamine (4462-17-3) → 2-chloro-7-methyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one (501439-14-1)

Guidance literature:

Multi-step reaction with 4 steps

1: potassium carbonate / N,N-dimethyl-formamide / 4 h / 110 °C

2: palladium 10% on activated carbon; hydrogenchloride; hydrogen / ethanol; water / 2 h

3: potassium carbonate / water; diethyl ether / 2 h / -15 - 20 °C

4: acetic acid; iron / 0.5 h / 70 - 100 °C

With hydrogenchloride; palladium 10% on activated carbon; hydrogen; iron; potassium carbonate; acetic acid; In diethyl ether; ethanol; water; N,N-dimethyl-formamide;

DOI:10.1016/j.bmc.2019.115303

upstream raw materials:

methyl N-(2-chloro-5-nitropyrimidin-4-yl)-N-(3-methylbutyl)alaninate

methyl N-(3-methylbutyl)alaninate

isovaleraldehyde

N-phenylmethyl-N-3-methylbutaneamine

Downstream raw materials:

2-chloro-7-methyl-8-(3-methylbutyl)-5-phenyl-7,8-dihydropteridin-6(5H)-one

2-(1H-indazol-5-ylamino)-7-methyl-8-(3-methylbutyl)-5-phenyl-7,8-dihydropteridin-6(5H)-one

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