Atrp carbonitrile

Base Information

Chemical Name:Atrp carbonitrile
CAS No.:88287-77-8
Molecular Formula:C30H30 N4 O4
Molecular Weight:510.58
Hs Code.:
DSSTox Substance ID:DTXSID301008050
Wikidata:Q83004380
Mol file:88287-77-8.mol

Synonyms:4-amino-3-(2,3,5-tri-O-benzyl-beta-ribofuranosyl)-5-pyrazole carbonitrile;ATRP carbonitrile

Suppliers and Price of Atrp carbonitrile

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 3 raw suppliers

Chemical Property of Atrp carbonitrile

Chemical Property:

Vapor Pressure:6.37E-20mmHg at 25°C
Boiling Point:708.5°C at 760 mmHg
Flash Point:382.3°C
PSA：115.41000
Density:1.3g/cm³
LogP:5.27228
XLogP3:3.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:11
Exact Mass:510.22670545
Heavy Atom Count:38
Complexity:744

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C(C=C1)COCC2C(C(C(O2)C3=C(C(=NN3)C#N)N)OCC4=CC=CC=C4)OCC5=CC=CC=C5
Isomeric SMILES:C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@H]([C@@H](O2)C3=C(C(=NN3)C#N)N)OCC4=CC=CC=C4)OCC5=CC=CC=C5

Technology Process of Atrp carbonitrile

There total 14 articles about Atrp 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: 98.0%

: 88295-39-0
3-(2,3,5-Tri-O-benzyl-β-D-ribofuranosyl)-4-<<(2,2,2-trichloroethoxy)carbonyl>amino>pyrazole-5-carbonitrile

: 88287-77-8
3-(2,3,5-Tri-O-benzyl-β-D-ribofuranosyl)-4-aminopyrazole-5-carbonitrile

Guidance literature:: With ammonium chloride; zinc; In methanol; for 1.5h; Heating;
DOI:10.1016/0008-6215(88)84056-4

Reference yield:

: 88287-72-3
3-(2,3,5-Tri-O-benzyl-β-D-ribofuranosyl)-5-cyanopyrazole-4-carboxylic acid

: 88287-77-8
3-(2,3,5-Tri-O-benzyl-β-D-ribofuranosyl)-4-aminopyrazole-5-carbonitrile

Guidance literature:: Multi-step reaction with 4 steps

1: oxalyl chloride / benzene / 2 h / Heating

2: 2.14 g / tetrabutylammonium iodide / H₂O / 2 h / 0 °C

3: toluene / 3.5 h / 125 °C

4: 98 percent / Zn, ammonium chloride (NH₄Cl) / methanol / 1.5 h / Heating

With oxalyl dichloride; tetra-(n-butyl)ammonium iodide; ammonium chloride; zinc; In methanol; water; toluene; benzene;
DOI:10.1016/0008-6215(88)84056-4

Reference yield:

: 31083-47-3
Methyl 3-(2,3,5-tri-O-benzyl-β-D-ribofuranosyl)-5-carbamoylpyrazole-4-carboxylate

: 88287-77-8
3-(2,3,5-Tri-O-benzyl-β-D-ribofuranosyl)-4-aminopyrazole-5-carbonitrile

Guidance literature:: Multi-step reaction with 4 steps

1: 63 percent / pyridine, trifluoroacetic anhydride / dioxane; tetrahydrofuran / 1.) 0-5 deg C, 45 min, 2.) room temp., 18 h

2: 93 percent / NaOH / methanol; H₂O / 18 h / Heating

3: 76 percent / diphenyl phosphoryl azide, triethylamine / toluene / 1.5 h / Heating

4: 94 percent / Zn, NH₄Cl / methanol / 1.5 h / Heating

With pyridine; sodium hydroxide; diphenyl phosphoryl azide; ammonium chloride; triethylamine; trifluoroacetic anhydride; zinc; In tetrahydrofuran; 1,4-dioxane; methanol; water; toluene;
DOI:10.1021/jo00177a028