2-Chloro-2'-deoxy-3,7-dideazaadenosine

Base Information

Chemical Name:2-Chloro-2'-deoxy-3,7-dideazaadenosine
CAS No.:114915-05-8
Molecular Formula:C₁₂H₁₄ClN₃O₃
Molecular Weight:283.714
Hs Code.:
DSSTox Substance ID:DTXSID20150899
Wikidata:Q83017205
Mol file:114915-05-8.mol

Synonyms:2-CDDDA;2-chloro-2'-deoxy-3,7-dideazaadenosine

Suppliers and Price of 2-Chloro-2'-deoxy-3,7-dideazaadenosine

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 2 raw suppliers

Chemical Property of 2-Chloro-2'-deoxy-3,7-dideazaadenosine

Chemical Property:

Melting Point:209-212 °C
Boiling Point:624.7±55.0 °C(Predicted)
PKA:13.39±0.60(Predicted)
Flash Point:331.6oC
PSA：93.53000
Density:1.74±0.1 g/cm3(Predicted)
LogP:1.49380
XLogP3:0.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:283.0723690
Heavy Atom Count:19
Complexity:335

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C(C(OC1N2C=CC3=C(N=C(C=C32)Cl)N)CO)O
Isomeric SMILES:C1[C@@H]([C@H](O[C@@H]1N2C=CC3=C(N=C(C=C32)Cl)N)CO)O

Technology Process of 2-Chloro-2'-deoxy-3,7-dideazaadenosine

There total 4 articles about 2-Chloro-2'-deoxy-3,7-dideazaadenosine 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:

: 91713-48-3
4,6-Dichloro-1-<2-deoxy-3,5-bis-O-(4-methylbenzoyl)-β-D-erythro-pentofuranosyl>-1H-pyrrolo<3,2-c>pyridine

: 114915-05-8
4-Amino-6-chloro-1-(2-deoxy-β-D-erythro-pentofuranosyl)-1H-pyrrolo<3,2-c>pyridine

Guidance literature:: Multi-step reaction with 2 steps

1: 80 percent / NH₃ / methanol / 24 h / Ambient temperature

2: 1) N₂H₄*H₂O, 2) Raney nickel / 1) reflux, 1.5 h, 2) water, reflux, 45 min

With ammonia; nickel; hydrazine hydrate; In methanol;
DOI:10.1021/jm00127a011

Reference yield:

: 4330-21-6
2-deoxy-3,5-di-O-p-toluoyl-α-D-erythro-pentofuranosyl chloride

: 114915-05-8
4-Amino-6-chloro-1-(2-deoxy-β-D-erythro-pentofuranosyl)-1H-pyrrolo<3,2-c>pyridine

Guidance literature:: Multi-step reaction with 4 steps

1: 90 percent / KOH, cryptand TDA-1 / acetonitrile / 0.75 h / Ambient temperature

2: 72 percent / NH₃ / methanol / 12 h / 50 °C

3: N₂H₄ / 1 h / 80 °C

4: Raney nickel / ethanol / 2 h / Heating

With potassium hydroxide; cryptand TDA-1; ammonia; nickel; hydrazine; In methanol; ethanol; acetonitrile;
DOI:10.1055/s-1988-27759

Reference yield:

: 91713-49-4
4,6-Dichloro-1-(2-deoxy-β-D-erythro-pentofuranosyl)-1H-pyrrolo<3,2-c>pyridine

: 114915-05-8
4-Amino-6-chloro-1-(2-deoxy-β-D-erythro-pentofuranosyl)-1H-pyrrolo<3,2-c>pyridine

Guidance literature:: Multi-step reaction with 2 steps

1: N₂H₄ / 1 h / 80 °C

2: Raney nickel / ethanol / 2 h / Heating

With nickel; hydrazine; In ethanol;
DOI:10.1055/s-1988-27759