4-Amino-7-(3-bromo-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-bromo-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-7H-pyrrolo(2,3-d)pyrimidine-5-carboxylic acid amide
CAS No.:127880-94-8
Molecular Formula:C₁₂H₁₄BrN₅O₄
Molecular Weight:372.178
Hs Code.:
DSSTox Substance ID:DTXSID40926013
Wikidata:Q82900471
ChEMBL ID:CHEMBL3142824

Synonyms:127880-94-8;4-Amino-7-((2R,3S,4R,5R)-3-bromo-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide;4-Amino-7-(3-bromo-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-7H-pyrrolo(2,3-d)pyrimidine-5-carboxylic acid amide;4-Amino-7-(3-bromo-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid amide;CHEMBL3142824;DTXSID40926013;4-Amino-7-(2-bromo-2-deoxypentofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboximidic acid;4-amino-7-[(2R,3S,4R,5R)-3-bromo-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide

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

Chemical Property:

Vapor Pressure:5.3E-27mmHg at 25°C
Boiling Point:800°Cat760mmHg
Flash Point:437.6°C
Density:2.25g/cm³
XLogP3:-1
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:371.02292
Heavy Atom Count:22
Complexity:444

Purity/Quality:: 99% ^*data from raw suppliers

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)Br)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)Br)N)C(=O)N

Technology Process of 4-Amino-7-(3-bromo-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-bromo-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: 86.0%

: 127913-81-9
4-amino-5-cyano-7-(2-deoxy-2-bromo-β-D-arabinofuranosyl)pyrrolo<2,3-d>pyrimidine

: 127880-94-8
4-amino-7-(2-deoxy-2-bromo-β-D-arabinofuranosyl)pyrrolo<2,3-d>pyrimidine-5-carboxamide

Guidance literature:: With ammonium hydroxide; dihydrogen peroxide; In methanol; for 0.85h; 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

: 127880-94-8
4-amino-7-(2-deoxy-2-bromo-β-D-arabinofuranosyl)pyrrolo<2,3-d>pyrimidine-5-carboxamide

Guidance literature:: Multi-step reaction with 4 steps

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

2: 1.59 g / lithium bromide / hexamethylphosphoric acid triamide / 3 h / Ambient temperature

3: 73 percent / tetra-n-butylammonium fluoride / tetrahydrofuran / 0.17 h / 0 °C

4: 86 percent / aq. ammonium hydroxide, 30percent aq. hydrogen peroxide / methanol / 0.85 h / Ambient temperature

With dmap; ammonium hydroxide; tetrabutyl ammonium fluoride; dihydrogen peroxide; lithium bromide; In tetrahydrofuran; methanol; N,N,N,N,N,N-hexamethylphosphoric triamide; 1,2-dichloro-ethane;
DOI:10.1021/jm00174a011

Reference yield:

: 127880-93-7
4-amino-5-cyano-7-<3,5-O-<1,1,3,3-tetrakis(methylethyl)disiloxan-1,3-diyl>-2-deoxy-2-bromo-β-D-arabinofuranosyl>pyrrolo<2,3-d>pyrimidine

: 127880-94-8
4-amino-7-(2-deoxy-2-bromo-β-D-arabinofuranosyl)pyrrolo<2,3-d>pyrimidine-5-carboxamide

Guidance literature:: Multi-step reaction with 2 steps

1: 73 percent / tetra-n-butylammonium fluoride / tetrahydrofuran / 0.17 h / 0 °C

2: 86 percent / aq. ammonium hydroxide, 30percent aq. hydrogen peroxide / methanol / 0.85 h / Ambient temperature

With ammonium hydroxide; tetrabutyl ammonium fluoride; dihydrogen peroxide; In tetrahydrofuran; methanol;
DOI:10.1021/jm00174a011