4-Amino-7-(3-chloro-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-7H-pyrrolo(2,3-d)pyrimidine-5-carbonitrile

Base Information

Chemical Name:4-Amino-7-(3-chloro-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-7H-pyrrolo(2,3-d)pyrimidine-5-carbonitrile
CAS No.:127880-91-5
Molecular Formula:C₁₂H₁₂ClN₅O₃
Molecular Weight:309.712
Hs Code.:
DSSTox Substance ID:DTXSID20926011
Wikidata:Q82900465
ChEMBL ID:CHEMBL3142826
Mol file:127880-91-5.mol

Synonyms:127880-91-5;4-Amino-7-((2R,3S,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile;4-Amino-7-(3-chloro-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-7H-pyrrolo(2,3-d)pyrimidine-5-carbonitrile;4-Amino-7-(3-chloro-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile;CHEMBL3142826;DTXSID20926011;4-Amino-7-(2-chloro-2-deoxypentofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile;4-amino-7-[(2R,3S,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile

Suppliers and Price of 4-Amino-7-(3-chloro-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-7H-pyrrolo(2,3-d)pyrimidine-5-carbonitrile

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-chloro-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-7H-pyrrolo(2,3-d)pyrimidine-5-carbonitrile

Chemical Property:

Vapor Pressure:6.02E-22mmHg at 25°C
Boiling Point:723.1°C at 760 mmHg
Flash Point:391.1°C
Density:1.88g/cm³
XLogP3:-0.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:2
Exact Mass:309.0628670
Heavy Atom Count:21
Complexity:446

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

Technology Process of 4-Amino-7-(3-chloro-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-7H-pyrrolo(2,3-d)pyrimidine-5-carbonitrile

There total 1 articles about 4-Amino-7-(3-chloro-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-7H-pyrrolo(2,3-d)pyrimidine-5-carbonitrile 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: 79.0%

: 127880-90-4
4-amino-5-cyano-7-<3,5-O-<1,1,3,3-tetrakis(methylethyl)-3-hydroxydisiloxanyl>-2-deoxy-2-chloro-β-D-arabinofuranosyl>pyrrolo<2,3-d>pyrimidine

: 127880-91-5
4-amino-5-cyano-7-(2-deoxy-2-chloro-β-D-arabinofuranosyl)pyrrolo<2,3-d>pyrimidine

Guidance literature:: With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 0 ℃;
DOI:10.1021/jm00174a011

Reference yield: 86.0%

: 127880-91-5
4-amino-5-cyano-7-(2-deoxy-2-chloro-β-D-arabinofuranosyl)pyrrolo<2,3-d>pyrimidine

: 127880-92-6
4-amino-7-(2-deoxy-2-chloro-β-D-arabinofuranosyl)pyrrolo<2,3-d>pyrimidine-5-carboxamide

Guidance literature:: With ammonium hydroxide; dihydrogen peroxide; In methanol; 1.) RT, 25 min, 2.) from 40 to 50 deg C;
DOI:10.1021/jm00174a011