4-Amino-7-(3-amino-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-7H-pyrrolo(2,3-d)pyrimidine-5-carboxylic acid amide

Base Information

Chemical Name:4-Amino-7-(3-amino-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-7H-pyrrolo(2,3-d)pyrimidine-5-carboxylic acid amide
CAS No.:127880-88-0
Molecular Formula:C₁₂H₁₆N₆O₄
Molecular Weight:308.297
Hs Code.:
DSSTox Substance ID:DTXSID60926010
Wikidata:Q82900464
ChEMBL ID:CHEMBL3142822
Mol file:127880-88-0.mol

Synonyms:127880-88-0;4-Amino-7-((2R,3S,4S,5R)-3-amino-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide;4-Amino-7-(3-amino-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-7H-pyrrolo(2,3-d)pyrimidine-5-carboxylic acid amide;4-Amino-7-(3-amino-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid amide;CHEMBL3142822;DTXSID60926010;4-Amino-7-(2-amino-2-deoxypentofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboximidic acid;4-amino-7-[(2R,3S,4S,5R)-3-amino-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide

Suppliers and Price of 4-Amino-7-(3-amino-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-7H-pyrrolo(2,3-d)pyrimidine-5-carboxylic acid amide

Supply Marketing:

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

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Chemical Property of 4-Amino-7-(3-amino-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-7H-pyrrolo(2,3-d)pyrimidine-5-carboxylic acid amide

Chemical Property:

Vapor Pressure:2.45E-26mmHg at 25°C
Boiling Point:790.5°Cat760mmHg
Flash Point:431.9°C
Density:2.06g/cm³
XLogP3:-2.7
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:3
Exact Mass:308.12330301
Heavy Atom Count:22
Complexity:440

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=C(C2=C(N=CN=C2N1C3C(C(C(O3)CO)O)N)N)C(=O)N
Isomeric SMILES:C1=C(C2=C(N=CN=C2N1[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)N)N)C(=O)N

Technology Process of 4-Amino-7-(3-amino-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-7H-pyrrolo(2,3-d)pyrimidine-5-carboxylic acid amide

There total 4 articles about 4-Amino-7-(3-amino-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-7H-pyrrolo(2,3-d)pyrimidine-5-carboxylic acid amide 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:

: 127880-87-9
4-amino-7-(2-deoxy-2-azido-β-D-arabinofuranosyl)pyrrolo<2,3-d>pyrimidine-5-carboxamide

: 127880-88-0
4-amino-7-(2-deoxy-2-amino-β-D-arabinofuranosyl)pyrrolo<2,3-d>pyrimidine-5-carboxamide

Guidance literature:: With 1.3-propanedithiol; triethylamine; In methanol; N,N-dimethyl-formamide; for 3h; Ambient temperature;
DOI:10.1021/jm00174a011

Reference yield:

: 85335-79-1
4-amino-5-cyano-7-<3,5-O-<1,1,3,3-tetrakis(methylethyl)disiloxan-1,3-diyl>-β-D-ribofuranosyl>pyrrolo<2,3-d>pyrimidine

: 127880-88-0
4-amino-7-(2-deoxy-2-amino-β-D-arabinofuranosyl)pyrrolo<2,3-d>pyrimidine-5-carboxamide

Guidance literature:: Multi-step reaction with 5 steps

1: 84 percent / 4-(dimethylamino)pyridine (4-DMAP) / 1,2-dichloro-ethane / 0 °C

2: 78 percent / lithium azide / hexamethylphosphoric acid triamide / 4 h / Ambient temperature

3: 60 percent / tetra-n-butylammonium fluoride / tetrahydrofuran / 2 h / Ambient temperature

4: 84 percent / 30percent aq. hydrogen peroxide, concd. ammonium hydroxide / 1 h

5: 120 mg / 1,3-propanedithiol, triethylamine / methanol; dimethylformamide / 3 h / Ambient temperature

With 1.3-propanedithiol; dmap; ammonium hydroxide; lithium azide; tetrabutyl ammonium fluoride; dihydrogen peroxide; triethylamine; In tetrahydrofuran; methanol; N,N,N,N,N,N-hexamethylphosphoric triamide; 1,2-dichloro-ethane; N,N-dimethyl-formamide;
DOI:10.1021/jm00174a011

Reference yield:

: 127880-84-6
4-amino-5-cyano-7-<3,5-O-<1,1,3,3-tetrakis(methylethyl)disiloxan-1,3-diyl>-2-deoxy-2-azido-β-D-arabinofuranosyl>pyrrolo<2,3-d>pyrimidine

: 127880-88-0
4-amino-7-(2-deoxy-2-amino-β-D-arabinofuranosyl)pyrrolo<2,3-d>pyrimidine-5-carboxamide

Guidance literature:: Multi-step reaction with 3 steps

1: 60 percent / tetra-n-butylammonium fluoride / tetrahydrofuran / 2 h / Ambient temperature

2: 84 percent / 30percent aq. hydrogen peroxide, concd. ammonium hydroxide / 1 h

3: 120 mg / 1,3-propanedithiol, triethylamine / methanol; dimethylformamide / 3 h / Ambient temperature

With 1.3-propanedithiol; ammonium hydroxide; tetrabutyl ammonium fluoride; dihydrogen peroxide; triethylamine; In tetrahydrofuran; methanol; N,N-dimethyl-formamide;
DOI:10.1021/jm00174a011