NA

Base Information

• Chemical Name: NA
• CAS No.: 1228588-13-3
• Molecular Formula: C24H34N6O5
• Molecular Weight: 486.56
• Mol file: 1228588-13-3.mol

Synonyms:Glycine, N-(6-amino-2-butoxy-5-nitro-4-pyrimidinyl)-N-[[3-(1-pyrrolidinylmethyl)phenyl]methyl]-, ethyl ester

Chemical Property of NA

Chemical Property:

• PSA: 139.63000
• LogP: 4.35370

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of NA

There total 12 articles about NA 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:

4-amino-2-butoxy-5-nitro-6-hydroxypyrimidine (1228588-15-5) + ethyl N-(3-pyrrolidin-1-ylrnethyl)benzylglycinate bis-oxalate → ethyl 2-((6-amino-2-butoxy-5-nitropyrimidin-4-yl)(3-(pyrrolidin-1-ylmethyl)benzyl)amino)acetate (1228588-13-3)

Guidance literature:

4-amino-2-butoxy-5-nitro-6-hydroxypyrimidine; With 2,4,6-trimethyl-pyridine; p-toluenesulfonyl chloride; In acetonitrile; at 60 ℃; for 7h;

ethyl N-(3-pyrrolidin-1-ylrnethyl)benzylglycinate bis-oxalate; In acetonitrile; at 20 ℃; for 15h;

Reference yield:

ethyl-Nα-[4-amino-2-methanesulfonyl-5-nitropyrimidin-6-yl],Nα-[3'-(pyrrolidin-1-ylmethyl)-benzyl]-glycinate (1228588-18-8) + butan-1-ol (71-36-3) → ethyl 2-((6-amino-2-butoxy-5-nitropyrimidin-4-yl)(3-(pyrrolidin-1-ylmethyl)benzyl)amino)acetate (1228588-13-3)

Guidance literature:

With trifluoroacetic acid; at 100 ℃; for 1h;

Reference yield:

(3-(pyrrolidin-1-ylmethyl)phenyl)methanamine (91271-78-2) → ethyl 2-((6-amino-2-butoxy-5-nitropyrimidin-4-yl)(3-(pyrrolidin-1-ylmethyl)benzyl)amino)acetate (1228588-13-3)

Guidance literature:

Multi-step reaction with 4 steps

1: triethylamine / tetrahydrofuran / 2 h / 0 °C

2: 0.75 h

3: sodium tungstate (VI) dihydrate; acetic acid; dihydrogen peroxide / water; ethanol / 19 h / 0 °C

4: trifluoroacetic acid / 1 h / 100 °C

With sodium tungstate (VI) dihydrate; dihydrogen peroxide; acetic acid; triethylamine; trifluoroacetic acid; In tetrahydrofuran; ethanol; water;

upstream raw materials:

ethyl 2-(3-(pyrrolidin-1-ylmethyl)benzylamino)acetate

(3-(pyrrolidin-1-ylmethyl)phenyl)methanamine

ethyl 2-((6-amino-2-(methylthio)-5-nitropyrimidin-4-yl)(3-(pyrrolidin-1-ylmethyl)benzyl)amino)acetate

ethyl-Nα-[4-amino-2-methanesulfonyl-5-nitropyrimidin-6-yl],Nα-[3'-(pyrrolidin-1-ylmethyl)-benzyl]-glycinate

Downstream raw materials:

4-amino-2-n-butoxy-8-[3’-(pyrrolidin-1“-ylmethyl)-benzyl]-5,6,7,8-tetrahydropteridin-6-one

4-amino-2-n-butoxy-8-[3'-(pyrrolidin-1-ylmethyl)-benzyl]-5,6,7,8-tetrahydropteridin-6-one hydrochloride

Refernces

• 1、 -. "METHODS FOR TREATING HCV". . . Retrieved 2013/10/22.