Emitefur

Base Information

Chemical Name:Emitefur
CAS No.:110690-43-2
Molecular Formula:C₂₈H₁₉FN₄O₈
Molecular Weight:558.479
Hs Code.:
UNII:9I50NF4AQ2
DSSTox Substance ID:DTXSID80149360
Nikkaji Number:J365.812K
Wikidata:Q27272578
NCI Thesaurus Code:C1022
ChEMBL ID:CHEMBL2104592
Mol file:110690-43-2.mol

Synonyms:3 (3-(6-benzoyloxy-3-cyano-2-pyridyloxycarbonyl)benzoyl)-1-ethoxymethyl-5-fluorouracil;BOF A2;BOF-A2;Emitefur

Suppliers and Price of Emitefur

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

Crysdot
Emitefur 95+%
1g
$ 1980.00

Chemenu
6-(benzoyloxy)-3-cyanopyridin-2-yl3-(3-(ethoxymethyl)-5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-1-carbonyl)benzoate 95%
1g
$ 1866.00

American Custom Chemicals Corporation
EMITEFUR 95.00%
1G
$ 3854.55

American Custom Chemicals Corporation
EMITEFUR 95.00%
100MG
$ 885.31

AHH
Emitefur 98%
0.5g
$ 910.00

Total 22 raw suppliers

Chemical Property of Emitefur

Chemical Property:

Vapor Pressure:1.09E-22mmHg at 25°C
Melting Point:162-164°
Boiling Point:755.1 °C at 760 mmHg
PKA:-5.94±0.40(Predicted)
Flash Point:410.5 °C
PSA：159.58000
Density:1.52 g/cm³
LogP:2.53668
Storage Temp.:2-8°C
XLogP3:3.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:10
Exact Mass:558.11869174
Heavy Atom Count:41
Complexity:1110

Purity/Quality:

99% ^*data from raw suppliers

Emitefur 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s): A poison by ingestion. A reproductive hazard.
Hazard Codes:A poison by ingestion. A reproductive hazard.

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOCN1C=C(C(=O)N(C1=O)C(=O)C2=CC(=CC=C2)C(=O)OC3=C(C=CC(=N3)OC(=O)C4=CC=CC=C4)C#N)F
Uses EMITEFUR is used for antineoplastic, it is used in the treatment of stomach, colorectal, breast, nonsmall cell lung, and pancreatic cancers (inhibits DNA synthesis and RNA function).

Technology Process of Emitefur

There total 7 articles about Emitefur 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: 25.0%

: 110690-43-2
3-[3-(6-benzoyloxy-3-cyano-pyridin-2-yloxycarbonyl)benzoyl]-1-ethoxymethyl-5-fluorouracil

Guidance literature:

Reference yield:

: 35441-10-2
3-cyano-2,6-dihydroxypyridine

: 110690-43-2
3-[3-(6-benzoyloxy-3-cyano-pyridin-2-yloxycarbonyl)benzoyl]-1-ethoxymethyl-5-fluorouracil

Guidance literature:: Multi-step reaction with 2 steps

1: 60 percent / Et₃N / N,N-dimethyl-acetamide / 1 h / Ambient temperature

2: Et₃N / CHCl₃ / 2 h / Ambient temperature

With triethylamine; In chloroform; N,N-dimethyl acetamide;
DOI:10.1248/cpb.41.1498

Reference yield:

: 57610-22-7
1-ethoxymethyl-5-fluorouracil

: 110690-43-2
3-[3-(6-benzoyloxy-3-cyano-pyridin-2-yloxycarbonyl)benzoyl]-1-ethoxymethyl-5-fluorouracil

Guidance literature:: Multi-step reaction with 2 steps

1: Et₃N / dioxane / 1 h / Ambient temperature

2: Et₃N / CHCl₃ / 2 h / Ambient temperature

With triethylamine; In 1,4-dioxane; chloroform;
DOI:10.1248/cpb.41.1498