C-Fiau

Base Information

Chemical Name:C-Fiau
CAS No.:110864-93-2
Molecular Formula:C₁₀H₁₂FIN₂O₄
Molecular Weight:370.119
Hs Code.:
DSSTox Substance ID:DTXSID60911880
ChEMBL ID:CHEMBL52843
Mol file:110864-93-2.mol

Synonyms:1-((1,2,3,4)-2-fluoro-3-hydroxy-4-( hydroxymethyl)cyclopentyl)-5-iodo-2,4(1H,3H)-pyrimidinedione;C-FIAU

Suppliers and Price of C-Fiau

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 1 raw suppliers

Chemical Property of C-Fiau

Chemical Property:

Boiling Point:°Cat760mmHg
Flash Point:°C
PSA：95.58000
Density:2.04g/cm³
LogP:-0.19420
XLogP3:0
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:369.98258
Heavy Atom Count:18
Complexity:417

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C(C(C(C1N2C=C(C(=O)NC2=O)I)F)O)CO

Technology Process of C-Fiau

There total 5 articles about C-Fiau 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: 21.0%

: 111001-50-4
(+/-)-1-<(1α,2α,3β,4α)-2-fluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl>-2,4(1H,3H)-pyrimidinedione

: 110864-93-2
(+/-)-1-<(1α,2α,3β,4α)-2-fluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl>-5-iodo-2,4(1H,3H)-pyrimidinedione

Guidance literature:: With iodine; nitric acid; In chloroform; 1.) reflux, 4 h, 2.) 5 deg C, 16 h;
DOI:10.1021/jm00163a030

Reference yield:

: 123169-13-1
(+/-)-(1α,2β,3α,4α)-4-<(2,4-dinitrophenyl)amino>-3-fluoro-2-hydroxycyclopentanemethanol

: 110864-93-2
(+/-)-1-<(1α,2α,3β,4α)-2-fluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl>-5-iodo-2,4(1H,3H)-pyrimidinedione

Guidance literature:: Multi-step reaction with 4 steps

1: 1.) Dowex 2(OH^-) resin, 2.) 1N HCl / 1.) acetone, water, RT, 24 h

2: DBU, 4A sieves / dimethylformamide; benzene / a.) -15 deg C, 1 h, b.) RT, 18 h

3: 5percent H₂SO₄ / 3 h / Heating

4: 21 percent / I₂, 1N HNO₃ / CHCl₃ / 1.) reflux, 4 h, 2.) 5 deg C, 16 h

With hydrogenchloride; 4 A molecular sieve; Dowex 2(OH^-) resin; sulfuric acid; iodine; nitric acid; 1,8-diazabicyclo[5.4.0]undec-7-ene; In chloroform; N,N-dimethyl-formamide; benzene;
DOI:10.1021/jm00163a030

Reference yield:

: 123169-18-6
1-((E)-3-Ethoxy-acryloyl)-3-((1R,2R,3R,4R)-2-fluoro-3-hydroxy-4-hydroxymethyl-cyclopentyl)-urea

: 110864-93-2
(+/-)-1-<(1α,2α,3β,4α)-2-fluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl>-5-iodo-2,4(1H,3H)-pyrimidinedione

Guidance literature:: Multi-step reaction with 2 steps

1: 5percent H₂SO₄ / 3 h / Heating

2: 21 percent / I₂, 1N HNO₃ / CHCl₃ / 1.) reflux, 4 h, 2.) 5 deg C, 16 h

With sulfuric acid; iodine; nitric acid; In chloroform;
DOI:10.1021/jm00163a030