Benzoic acid, 4-[[2-(2,4-diamino-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]amino]-, ethyl ester

Base Information

Chemical Name:Benzoic acid, 4-[[2-(2,4-diamino-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]amino]-, ethyl ester
CAS No.:133719-61-6
Molecular Formula:C₁₇H₂₂N₆O₂
Molecular Weight:342.401
Hs Code.:
DSSTox Substance ID:DTXSID301111978

Synonyms:SCHEMBL9041366;DTXSID301111978;133719-61-6;Benzoic acid, 4-[[2-(2,4-diamino-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]amino]-, ethyl ester

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

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Chemical Property of Benzoic acid, 4-[[2-(2,4-diamino-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]amino]-, ethyl ester

Chemical Property:

XLogP3:1.9
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:342.18042397
Heavy Atom Count:25
Complexity:443

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCOC(=O)C1=CC=C(C=C1)NCCC2CNC3=NC(=NC(=C23)N)N

Technology Process of Benzoic acid, 4-[[2-(2,4-diamino-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]amino]-, ethyl ester

There total 2 articles about Benzoic acid, 4-[[2-(2,4-diamino-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]amino]-, ethyl 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: 59.0%

: 165900-68-5
ethyl 4-pyrimidin-5-yl)ethyl>amino>benzoate

: 133719-61-6
ethyl 4-pyrimidin-5-yl)ethyl>amino>benzoate

: 134621-57-1
ethyl 4-(2,4-diamino-4b,5,6,7,7a,8-hexahydropyrrolo<3',2':4,5>pyrrolo<2,3-d>pyrimidin-7-yl)benzoate

Guidance literature:: With borane-THF; In tetrahydrofuran; at 0 ℃; for 6h;
DOI:10.1248/cpb.43.256

Reference yield:

: 165900-67-4
ethyl 4-pyrimidin-5-yl)ethyl>-N-(tert-butoxycarbonyl)amino>benzoate

: 133719-61-6
ethyl 4-pyrimidin-5-yl)ethyl>amino>benzoate

Guidance literature:: Multi-step reaction with 2 steps

1: 86 percent / TFA / 1 h

2: 24 percent / BH₃*THF / tetrahydrofuran / 6 h / 0 °C

With borane-THF; trifluoroacetic acid; In tetrahydrofuran;
DOI:10.1248/cpb.43.256