Methyl 2-(3,6-diamino-2,5-diiodo-9H-xanthen-9-YL)benzoate

Base Information

Chemical Name:Methyl 2-(3,6-diamino-2,5-diiodo-9H-xanthen-9-YL)benzoate
CAS No.:109244-61-3
Molecular Formula:C21H16I2N2O3
Molecular Weight:598.179
Hs Code.:
ChEMBL ID:CHEMBL50847
DSSTox Substance ID:DTXSID60546934
Mol file:109244-61-3.mol

Synonyms:109244-61-3;METHYL 2-(3,6-DIAMINO-2,5-DIIODO-9H-XANTHEN-9-YL)BENZOATE;CHEMBL50847;DTXSID60546934

Suppliers and Price of Methyl 2-(3,6-diamino-2,5-diiodo-9H-xanthen-9-YL)benzoate

Supply Marketing:

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

Manufacturers and distributors:

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Total 0 raw suppliers

Chemical Property of Methyl 2-(3,6-diamino-2,5-diiodo-9H-xanthen-9-YL)benzoate

Chemical Property:

XLogP3:4.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:597.92504
Heavy Atom Count:28
Complexity:580

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1=CC=CC=C1C2C3=C(C(=C(C=C3)N)I)OC4=CC(=C(C=C24)I)N

Technology Process of Methyl 2-(3,6-diamino-2,5-diiodo-9H-xanthen-9-YL)benzoate

There total 3 articles about Methyl 2-(3,6-diamino-2,5-diiodo-9H-xanthen-9-YL)benzoate 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: 23.0%

: 109244-58-8
Dihydrorhodamine 123

: 109244-61-3
4',7'-diiododihydrorhodamine 123

: 109244-60-2
2',7'-diiododihydrorhodamine 123

: 109244-62-4
2',4',7'-triiododihydrorhodamine 123

Guidance literature:: With N-chloro-succinimide; ammonium acetate; sodium iodide; In tetrachloromethane; dichloromethane; for 1h; Ambient temperature;
DOI:10.1021/jm00393a013

Reference yield: 21.0%

: 109244-58-8
Dihydrorhodamine 123

: 109282-63-5
4'-iododihydrorhodamine 123

: 109244-59-9
2'-iododihydrorhodamine 123

: 109244-61-3
4',7'-diiododihydrorhodamine 123

: 109244-60-2
2',7'-diiododihydrorhodamine 123

Guidance literature:: With N-chloro-succinimide; ammonium acetate; sodium iodide; In methanol; tetrachloromethane; dichloromethane; at 0 - 20 ℃; for 1h;
DOI:10.1021/jm00393a013

Reference yield:

: 62669-70-9
rhodamin 123

: 109244-61-3
4',7'-diiododihydrorhodamine 123

Guidance literature:: Multi-step reaction with 2 steps

1: NaBH₄ / CH₂Cl₂; H₂O / 1 h

2: 12 percent / NaI, N-chlorosuccinimide (NClS), 0.2 M NH₄OAc / methanol; CH₂Cl₂; CCl₄ / 1 h / 0 - 20 °C

With sodium tetrahydroborate; N-chloro-succinimide; ammonium acetate; sodium iodide; In methanol; tetrachloromethane; dichloromethane; water;
DOI:10.1021/jm00393a013