Sorbinil

Base Information

Chemical Name:Sorbinil
CAS No.:68367-52-2
Molecular Formula:C₁₁H₉FN₂O₃
Molecular Weight:236.202
Hs Code.:
European Community (EC) Number:684-722-7
NSC Number:355082
UNII:G4186B906P
DSSTox Substance ID:DTXSID0023587
Nikkaji Number:J19.107H
Wikipedia:Sorbinil
Wikidata:Q1259458
NCI Thesaurus Code:C97357
Pharos Ligand ID:CPQKN36TWMBS
Metabolomics Workbench ID:52718
ChEMBL ID:CHEMBL266497
Mol file:68367-52-2.mol

Synonyms:6-fluoro-2,3-dihydro-spiro(4H-1-benzopyran-4,4'-imidazolidine)-2',5'-dione;CP 45634;CP-45634;D-6-fluoro-spiro(chroman-4,4'-imidazolidine)-2',5'-dione;sorbinil

Suppliers and Price of Sorbinil

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

Sigma-Aldrich
Sorbinil ≥98% (HPLC)
5mg
$ 113.00

Sigma-Aldrich
Sorbinil ≥98% (HPLC)
25mg
$ 440.00

ChemScene
Sorbinil 98.31%
1mg
$ 235.00

Total 5 raw suppliers

Chemical Property of Sorbinil

Chemical Property:

Melting Point:241-243°
Boiling Point:°Cat760mmHg
PKA:8.91±0.20(Predicted)
Flash Point:°C
PSA：67.43000
Density:1.52g/cm³
LogP:1.30050
Storage Temp.:2-8°C
Solubility.:DMSO: ≥20mg/mL
XLogP3:0.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:0
Exact Mass:236.05972032
Heavy Atom Count:17
Complexity:376

Purity/Quality:

97% ^*data from raw suppliers

Sorbinil ≥98% (HPLC) ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xn
Statements: 22

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:C1COC2=C(C13C(=O)NC(=O)N3)C=C(C=C2)F
Isomeric SMILES:C1COC2=C([C@]13C(=O)NC(=O)N3)C=C(C=C2)F
Recent ClinicalTrials:Serum-derived Bovine Immunoglobulin Effect on Mucositis
Uses Sorbinil has been used as an aldose reductase inhibitor in diabetic rats as a positive control group.

Technology Process of Sorbinil

There total 24 articles about Sorbinil 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: 61.0%

: 917-61-3
sodium isocyanate

: 103197-16-6
methyl (4S)-amino-2,3-dihydro-6-fluoro-4H-1-benzopyran-4-carboxylate

: 67146-05-8,69684-83-9,69881-27-2,113387-54-5,68367-52-2
sorbinil

Guidance literature:: In acetic acid; 1.) RT, 24 h; 2.) 90 deg C, 3 h;
DOI:10.1021/jo00392a017

Reference yield: 50.0%

: 79791-48-3
(S)-2,3-dihydro-6-fluoro-3'-<(S)-1-phenylethyl>spiro<4H-1-benzopyran-4,4'-imidazolidine>-2',5'-dione

: 67146-05-8,69684-83-9,69881-27-2,113387-54-5,68367-52-2
sorbinil

Guidance literature:: With hydrogen bromide; acetic acid; In water; at 120 - 130 ℃; for 2h;
DOI:10.1021/jo00142a016

Reference yield:

: 103197-13-3
(S)-methyl 4-amino-6-fluorochroman-4-carboxylate

: 67146-05-8,69684-83-9,69881-27-2,113387-54-5,68367-52-2
sorbinil

Guidance literature:: Multi-step reaction with 2 steps

1: 36 percent / α-chymotrypsin / H2O; aq. HCl; NaCl / 60 h / 20 °C

2: 61 percent / acetic acid / 1.) RT, 24 h; 2.) 90 deg C, 3 h

With α-chymotrypsin; In hydrogenchloride; water; acetic acid; sodium chloride;
DOI:10.1021/jo00392a017