3,6-Propanocyclobuta(1,2-d:4,3-d')dipyrimidine-1(2H)-acetic acid,octahydro-8-methyl-2,4,5,7-tetraoxo-, methyl ester

Base Information

Chemical Name:3,6-Propanocyclobuta(1,2-d:4,3-d')dipyrimidine-1(2H)-acetic acid,octahydro-8-methyl-2,4,5,7-tetraoxo-, methyl ester
CAS No.:137394-54-8
Molecular Formula:C₁₅H₁₈N₄O₆
Molecular Weight:350.331
Hs Code.:
DSSTox Substance ID:DTXSID60929783

Synonyms:137394-54-8;3,6-Propanocyclobuta(1,2-d:4,3-d')dipyrimidine-1(2H)-acetic acid,octahydro-8-methyl-2,4,5,7-tetraoxo-, methyl ester;3,6-Propanocyclobuta[1,2-d:4,3-d']dipyrimidine-1(2H)-acetic acid,octahydro-8-methyl-2,4,5,7-tetraoxo-, methyl ester;DTXSID60929783;Methyl (12-methyl-5,11,14,15-tetraoxo-4,6,10,12-tetraazatetracyclo[8.3.1.1~2,6~.0~3,13~]pentadecan-4-yl)acetate

Suppliers and Price of 3,6-Propanocyclobuta(1,2-d:4,3-d')dipyrimidine-1(2H)-acetic acid,octahydro-8-methyl-2,4,5,7-tetraoxo-, methyl ester

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 3,6-Propanocyclobuta(1,2-d:4,3-d')dipyrimidine-1(2H)-acetic acid,octahydro-8-methyl-2,4,5,7-tetraoxo-, methyl ester

Chemical Property:

Vapor Pressure:2.22E-10mmHg at 25°C
Boiling Point:506.5°C at 760 mmHg
Flash Point:260.1°C
Density:1.59g/cm³
XLogP3:-1.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:350.12263431
Heavy Atom Count:25
Complexity:708

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C2C3C4C2N(C(=O)N(C4=O)CCCN(C3=O)C1=O)CC(=O)OC

Technology Process of 3,6-Propanocyclobuta(1,2-d:4,3-d')dipyrimidine-1(2H)-acetic acid,octahydro-8-methyl-2,4,5,7-tetraoxo-, methyl ester

There total 4 articles about 3,6-Propanocyclobuta(1,2-d:4,3-d')dipyrimidine-1(2H)-acetic acid,octahydro-8-methyl-2,4,5,7-tetraoxo-, methyl ester 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: 63.0%

: 137394-53-7
{3-[3-(3-Methyl-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-yl)-propyl]-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl}-acetic acid methyl ester

: 137394-54-8
C₁₅H₁₈N₄O₆

Guidance literature:: In acetone; acetonitrile; for 10h; Irradiation;
DOI:10.1021/jo00026a029

Reference yield:

: 615-77-0
1-methyluracil

: 137394-54-8
C₁₅H₁₈N₄O₆

Guidance literature:: Multi-step reaction with 2 steps

1: 78 percent / K₂CO₃ / dimethylformamide / 1.5 h / 60 °C

2: 63 percent / acetonitrile; acetone / 10 h / Irradiation

With potassium carbonate; In N,N-dimethyl-formamide; acetone; acetonitrile;
DOI:10.1021/jo00026a029

Reference yield:

: 5236-60-2
methyl2-(2,4-dioxo-3H-pyrimidin-1-yl) ethanoate

: 137394-54-8
C₁₅H₁₈N₄O₆

Guidance literature:: Multi-step reaction with 3 steps

1: 75 percent / K₂CO₃ / dimethylformamide / 1.5 h / 60 °C

2: 78 percent / K₂CO₃ / dimethylformamide / 1.5 h / 60 °C

3: 63 percent / acetonitrile; acetone / 10 h / Irradiation

With potassium carbonate; In N,N-dimethyl-formamide; acetone; acetonitrile;
DOI:10.1021/jo00026a029