2-Chloro-3'-deoxyadenosine

Base Information

Chemical Name:2-Chloro-3'-deoxyadenosine
CAS No.:115044-75-2
Molecular Formula:C10H12 Cl N5 O3
Molecular Weight:285.69
Hs Code.:
UNII:JYW18Y92UP
DSSTox Substance ID:DTXSID90150942
Nikkaji Number:J3.316.459I
Wikidata:Q27281750
ChEMBL ID:CHEMBL3110073
Mol file:115044-75-2.mol

Synonyms:2-chloro-3'-deoxyadenosine;3'-deoxy-2-chloroadenosine;biodribin

Suppliers and Price of 2-Chloro-3'-deoxyadenosine

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

American Custom Chemicals Corporation
2-CHLORO-3'-DEOXYADENOSINE 95.00%
5MG
$ 502.60

Total 4 raw suppliers

Chemical Property of 2-Chloro-3'-deoxyadenosine

Chemical Property:

Boiling Point:547.6°Cat760mmHg
Flash Point:285°C
PSA：119.31000
Density:2.03g/cm³
LogP:0.28380
XLogP3:0.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:2
Exact Mass:285.0628670
Heavy Atom Count:19
Complexity:338

Purity/Quality:

99.3% ^*data from raw suppliers

2-CHLORO-3'-DEOXYADENOSINE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C(OC(C1O)N2C=NC3=C(N=C(N=C32)Cl)N)CO
Isomeric SMILES:C1[C@H](O[C@H]([C@@H]1O)N2C=NC3=C(N=C(N=C32)Cl)N)CO

Technology Process of 2-Chloro-3'-deoxyadenosine

There total 5 articles about 2-Chloro-3'-deoxyadenosine 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: 40.0%

: 13146-72-0
3′-deoxyinosine

: 1839-18-5
2-chloroadenine

: 68-94-0
hypoxanthine

: 115044-75-2
(2R,3R,5S)-2-(6-amino-2-chloro-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3-ol

Guidance literature:: With potassium dihydrogenphosphate; recombinant E_. coli purine nucleoside phosphorylase; In water; at 50 ℃; for 192h; pH=7; Enzymatic reaction;
DOI:10.1055/s-0036-1590804

Reference yield:

: 119530-58-4
2-Chloro-5'-O-(4,4'-dimethoxytrityl)-2',3'-O-thiocarbonyladenosine

: 1839-18-5
2-chloroadenine

: 115044-75-2
(2R,3R,5S)-2-(6-amino-2-chloro-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3-ol

: 119530-61-9
9-{(3aR,4R,6R,6aR)-6-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-tetrahydro-furo[3,4-d][1,3]dioxol-4-yl}-2-chloro-9H-purin-6-ylamine

Guidance literature:: With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride; acetic acid; Yield given. Multistep reaction; 1) toluene, 110-120 deg C, 3.5 h, 2) 50 deg C, 30 min;
DOI:10.1021/jm00125a031

Reference yield:

: 65870-99-7
2',3'-O-(1-methoxyethylidene)inosine

: 68-94-0
hypoxanthine

: 115044-75-2
(2R,3R,5S)-2-(6-amino-2-chloro-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3-ol

Guidance literature:: Multi-step reaction with 4 steps

1: acetonitrile / 10 h / 0 - 10 °C

2: dibenzoyl peroxide; tri-n-butyl-tin hydride / toluene / 3 h / Inert atmosphere; Reflux

3: ammonium hydroxide / methanol / 1 h / 20 °C

4: recombinant E_. coli purine nucleoside phosphorylase; potassium dihydrogenphosphate / water / 192 h / 50 °C / pH 7 / Enzymatic reaction

With ammonium hydroxide; potassium dihydrogenphosphate; recombinant E_. coli purine nucleoside phosphorylase; tri-n-butyl-tin hydride; dibenzoyl peroxide; In methanol; water; toluene; acetonitrile;
DOI:10.1055/s-0036-1590804