Bromamine acid sodium salt

Base Information

• Chemical Name: Bromamine acid sodium salt
• CAS No.: 6258-06-6
• Deprecated CAS: 1007599-95-2
• Molecular Formula: C14H8 Br N O5 S . Na
• Molecular Weight: 404.173
• European Community (EC) Number: 228-391-5
• ChEMBL ID: CHEMBL270415
• DSSTox Substance ID: DTXSID9029277
• Nikkaji Number: J14.511D
• Mol file: 6258-06-6.mol

Synonyms:6258-06-6;Bromamine acid sodium salt;Bromaminic acid sodium salt;1-Amino-4-bromoanthraquinone-2-sulfonic Acid Sodium Salt;sodium 1-amino-4-bromo-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate;DTXSID9029277;MFCD00019160;Bromaminan sodny;sodium;1-amino-4-bromo-9,10-dioxoanthracene-2-sulfonate;1-Amino-4-bromo-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid sodium salt;Sodium 1-amino-4-bromoanthraquinone-2-sulfonate;2-Anthracenesulfonic acid, 1-amino-4-bromo-9,10-dihydro-9,10-dioxo-, monosodium salt;CHEMBL270415;1-Amino-4-bromanthrachinon-2-sulfonan sodny;EINECS 228-391-5;NSC 164929;Bromaminan sodny [Czech];1-Amino-4-bromanthrachinon-2-sulfonan sodny [Czech];1-Amino-4-bromoanthraquinone-2-sulfonic sodium salt;DTXCID209277;SCHEMBL3378291;Sodium 1-amino-4-bromo-9,10-dioxoanthracene-2-sulphonate;TXMRAEGWZZVGIH-UHFFFAOYSA-M;2-Anthraquinonesulfonic acid, 1-amino-4-bromo-, sodium salt;Tox21_202576;AKOS001071683;2-ANTHRACENESULFONIC ACID, 9,10-DIHYDRO-1-AMINO-4-BROMO-9,10-DIOXO-, SODIUM SALT;NCGC00260125-01;AS-10398;CAS-6258-06-6;A0279;CS-0010142;FT-0721410;NS00078058;E78132;EC 228-391-5;W-104992;Z57187504;1-amino-4-bromo-9,10-dioxo-anthracene-2-sulfonic acid;1-Amino-4-bromo-2-anthraquinone sulfonic acid, sodium salt;1-Amino-4-bromo-2-anthraquinonesulfonic acid, sodium salt;sodium1-amino-4-bromo-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate;2-Anthracenesulfonic acid, 1-amino-4-bromo-9,10-dihydro-9,10-dioxo-, sodium salt (1:1)

Chemical Property of Bromamine acid sodium salt

Chemical Property:

• Melting Point: >300 °C(lit.)
• PSA: 125.74000
• LogP: 3.37280
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 402.91260
• Heavy Atom Count: 23
• Complexity: 607

Purity/Quality:

99.9% ^*data from raw suppliers

1-Amino-4-bromoanthraquinone-2-sulfonic Acid Sodium Salt >98.0%(HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C=C(C(=C3C2=O)N)S(=O)(=O)[O-])Br.[Na+]
• Uses: Bromaminic Acid Sodium Salt is the sodium salt of Bromaminic Acid (B679580). Bromaminic Acid Sodium Salt is used as a reactant in the preparation of aminoanthraquinone derivatives as potent and selective antagonists for the UTP-Activated P2Y4 Receptor. Dyes and metabolites.

Technology Process of Bromamine acid sodium salt

There total 5 articles about Bromamine acid sodium salt 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: 95.3%

1-amino-4-bromo-9,10-dioxoanthracene-2-sulphonic acid (116-81-4) → sodium 1-amino-4-bromoanthraquinone-2-sulfonate (6258-06-6)

Guidance literature:

With sodium sulfite; In water; at 90 ℃; Large scale;

Reference yield: 94.0%

sodium 1-amino-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate (24429-49-0) → sodium 1-amino-4-bromoanthraquinone-2-sulfonate (6258-06-6)

Guidance literature:

With bromine; In N,N-dimethyl-formamide; at 50 ℃; for 1.5h;

DOI:10.3762/bjoc.11.253

Reference yield:

1-amino-9,10-anthracenedione (82-45-1) → sodium 1-amino-4-bromoanthraquinone-2-sulfonate (6258-06-6)

Guidance literature:

Multi-step reaction with 2 steps

1: chlorosulfonic acid / nitrobenzene / 115 - 120 °C

2: NaCl, Br₂, H₂O₂ / H₂O / 2 h / 70 - 75 °C

With chlorosulfonic acid; dihydrogen peroxide; bromine; sodium chloride; In water; nitrobenzene;

upstream raw materials:

1-aminoanthraquinone-2-sulfonic acid

1-amino-9,10-anthracenedione

sodium 1-amino-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate

1-amino-4-bromo-9,10-dioxoanthracene-2-sulphonic acid

Downstream raw materials:

Sodium; 1-amino-4-ethylamino-9,10-dioxo-9,10-dihydro-anthracene-2-sulfonate

disodium 1-amino-4-(4-amino-2-sulfophenylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate

disodium 1-amino-4-(4-amino-3-sulfophenylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate

Refernces

• 1、 Malik, Enas M.,Baqi, Younis,Müller, Christa E.. "Syntheses of 2-substituted 1-amino-4-bromoanthraquinones (bromaminic acid analogues) - Precursors for dyes and drugs". . p. 2326 - 2333. Retrieved 2016/02/12.
• 2、 -. "Process for separating off 1-amino-4-bromoanthraquinone-2-sulphonic acid". . . Retrieved 2008/06/13.