3-[[3-Chloro-4-(alpha-D-mannopyranosyloxy)phenyl]amino]-4-ethoxy-3-cyclobutene-1,2-dione

Base Information

Chemical Name:3-[[3-Chloro-4-(alpha-D-mannopyranosyloxy)phenyl]amino]-4-ethoxy-3-cyclobutene-1,2-dione
CAS No.:916849-17-7
Molecular Formula:C₁₈H₂₀ClNO₉
Molecular Weight:429.811
Hs Code.:
ChEMBL ID:CHEMBL2064326
DSSTox Substance ID:DTXSID501128769
Nikkaji Number:J2.407.339D

Synonyms:CHEMBL2064326;DTXSID501128769;916849-17-7

Suppliers and Price of 3-[[3-Chloro-4-(alpha-D-mannopyranosyloxy)phenyl]amino]-4-ethoxy-3-cyclobutene-1,2-dione

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 3-[[3-Chloro-4-(alpha-D-mannopyranosyloxy)phenyl]amino]-4-ethoxy-3-cyclobutene-1,2-dione

Chemical Property:

XLogP3:0.3
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:7
Exact Mass:429.0826589
Heavy Atom Count:29
Complexity:672

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCOC1=C(C(=O)C1=O)NC2=CC(=C(C=C2)OC3C(C(C(C(O3)CO)O)O)O)Cl
Isomeric SMILES:CCOC1=C(C(=O)C1=O)NC2=CC(=C(C=C2)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Cl

Technology Process of 3-[[3-Chloro-4-(alpha-D-mannopyranosyloxy)phenyl]amino]-4-ethoxy-3-cyclobutene-1,2-dione

There total 2 articles about 3-[[3-Chloro-4-(alpha-D-mannopyranosyloxy)phenyl]amino]-4-ethoxy-3-cyclobutene-1,2-dione 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:

: 1403988-92-0
4-amino-2-chlorophenyl α-D-mannopyranoside

: 5231-87-8
3,4-diethoxy-3-cyclobuten-1,2-dione

: 916849-17-7
o-chloro-p-[N-(2-ethoxy-3,4-dioxocyclobut-1-enyl)amino]phenyl α-D-mannopyranoside

Guidance literature:: In methanol; at 20 ℃;
DOI:10.1039/b610745a

Reference yield:

: 65446-24-4,119047-14-2
2-chloro-4-nitrophenyl α-D-mannopyranoside

: 916849-17-7
o-chloro-p-[N-(2-ethoxy-3,4-dioxocyclobut-1-enyl)amino]phenyl α-D-mannopyranoside

Guidance literature:: Multi-step reaction with 2 steps

1: hydrogen; morpholine; platinum(IV) oxide / methanol / 0.75 h / 760.05 Torr

2: methanol / 24 h / 20 °C / Inert atmosphere

With morpholine; platinum(IV) oxide; hydrogen; In methanol;
DOI:10.1021/jm3010338