Infusamine

Base Information

Chemical Name:Infusamine
CAS No.:96699-71-7
Molecular Formula:C₁₂H₁₅ClFN₅O₆
Molecular Weight:379.732
Hs Code.:
DSSTox Substance ID:DTXSID10914386
Wikidata:Q82885179
Mol file:96699-71-7.mol

Synonyms:3'-(3-(2-chloroethyl)-3-nitrosoureido)-2',3'-dideoxy-5-fluorouridine;3'-CFDUNU

Suppliers and Price of Infusamine

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 4 raw suppliers

Chemical Property of Infusamine

Chemical Property:

PSA：146.09000
LogP:-0.35320
XLogP3:-0.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:379.0694891
Heavy Atom Count:25
Complexity:605

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=C(C(=O)NC2=O)F)CO)NC(=O)N(CCCl)N=O
Isomeric SMILES:C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)F)CO)NC(=O)N(CCCl)N=O

Technology Process of Infusamine

There total 3 articles about Infusamine 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: 34.0%

: 96699-70-6
3'-<3-(2-chloroethyl)ureido>-2',3'-dideoxy-5-fluorouridine

: 96699-71-7
3'-<3-(2-chloroethyl)-3-nitrosoureido>-2',3'-dideoxy-5-fluorouridine

Guidance literature:: With acetic acid; sodium nitrite; at 0 ℃; for 4h;
DOI:10.1021/jm00155a044

Reference yield:

: 87190-74-7
1-(3-azido-2,3-dideoxy-β-D-erythro-pentofuranosyl)-5-fluorouracil

: 96699-71-7
3'-<3-(2-chloroethyl)-3-nitrosoureido>-2',3'-dideoxy-5-fluorouridine

Guidance literature:: Multi-step reaction with 3 steps

1: H₂ / 10percent Pd/C / ethanol

2: 57 percent / methanol / 1 h / 0 °C

3: 34 percent / sodium nitrite, 80percent aq. HOAc / 4 h / 0 °C

With hydrogen; acetic acid; sodium nitrite; palladium on activated charcoal; In methanol; ethanol;
DOI:10.1021/jm00155a044

Reference yield:

: 85236-95-9
1-(3-amino-2,3-dideoxy-β-D-erythro-pentofuranosyl)-5-fluorouracil

: 96699-71-7
3'-<3-(2-chloroethyl)-3-nitrosoureido>-2',3'-dideoxy-5-fluorouridine

Guidance literature:: Multi-step reaction with 2 steps

1: 57 percent / methanol / 1 h / 0 °C

2: 34 percent / sodium nitrite, 80percent aq. HOAc / 4 h / 0 °C

With acetic acid; sodium nitrite; In methanol;
DOI:10.1021/jm00155a044