Kyselina o-tosyl-h

Base Information

• Chemical Name: Kyselina o-tosyl-h
• CAS No.: 6837-93-0
• Molecular Formula: C17H15 N O9 S3
• Molecular Weight: 473.51
• Hs Code.: 2922199090
• NSC Number: 16168
• DSSTox Substance ID: DTXSID00218502
• Nikkaji Number: J29.245A
• Wikidata: Q83095378
• ChEMBL ID: CHEMBL1741448
• Mol file: 6837-93-0.mol

Synonyms:6837-93-0;NSC16168;Kyselina o-tosyl-h;Kyselina O-tosyl-H [Czech];NSC 16168;BRN 3124026;4-amino-5-(4-methylphenyl)sulfonyloxynaphthalene-2,7-disulfonic acid;NSC-16168;1-Amino-3,6-disulfo-8-naftylester kyselina p-toluensulfonove;4-AMINO-5-(TOSYLOXY)NAPHTHALENE-2,7-DISULFONIC ACID;1-Amino-3,6-disulfo-8-naftylester kyselina p-toluensulfonove [Czech];Kyselina 8-p-toluensulfonyloxy-1-naftylamin-3,6-disulfonova [Czech];2,7-Naphthalenedisulfonicacid, 4-amino-5-[[(4-methylphenyl)sulfonyl]oxy]-;4-Amino-5-hydroxy-2,7-naphthalenedisulfonic acid p-toluenesulfonate (ester);2,7-NAPHTHALENEDISULFONIC ACID, 4-AMINO-5-HYDROXY-, p-TOLUENESULFONATE (ester);2-14-00-00503 (Beilstein Handbook Reference);Kyselina 8-p-toluensulfonyloxy-1-naftylamin-3,6-disulfonova;2,7-Naphthalenedisulfonic acid, 4-amino-5-(((4-methylphenyl)sulfonyl)oxy)-;2,7-Naphthalenedisulfonic acid, 4-amino-5-[[(4-methylphenyl)sulfonyl]oxy]-;Compound 16168;NCIStruc1_001257;NCIStruc2_001017;CHEMBL1741448;SCHEMBL13994998;BDBM26620;DTXSID00218502;NCI16168;CCG-37295;NCGC00013210;AKOS040742316;NCGC00013210-02;NCGC00096331-01;LS-94643;MS-28771;NCI60_001202;WLN: L66J BZ DSWQ HSWQ JOSWR D1;HY-100690;2, 4-amino-5-hydroxy-, p-toluenesulfonate;CS-0019977;2, 4-amino-5-[[(4-methylphenyl)sulfonyl]oxy]-;2, 4-amino-5-hydroxy-, p-toluenesulfonate (ester);1-Amino-8-(4-methylphenylsulfonyloxy)naphthalene-3,6-disulfonic acid;4-amino-5-(((4-methylphenyl)sulfonyl)oxy)-2,7-naphthalenedisulfonic acid;4-amino-5-{[(4-methylbenzene)sulfonyl]oxy}naphthalene-2,7-disulfonic acid

Chemical Property of Kyselina o-tosyl-h

Chemical Property:

• Refractive Index: 1.7000 (estimate)
• PKA: -1.16±0.40(Predicted)
• PSA: 203.27000
• Density: 1.683g/cm³
• LogP: 5.81510
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 5
• Exact Mass: 472.99089458
• Heavy Atom Count: 30
• Complexity: 922

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=CC3=CC(=CC(=C32)N)S(=O)(=O)O)S(=O)(=O)O

Technology Process of Kyselina o-tosyl-h

There total 1 articles about Kyselina o-tosyl-h 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:

4-amino-5-hydroxy-2,7-naphthalenedisulfonic acid (90-20-0) + p-toluenesulfonyl chloride (98-59-9) → 1-amino-8-(4-methylphenylsulfonyloxy)naphthalene-3,6-disulfonic acid (6837-93-0)

Guidance literature:

4-amino-5-hydroxy-2,7-naphthalenedisulfonic acid; With sodium hydroxide; In water;

p-toluenesulfonyl chloride; In water; pH=10.5 - 11;

Reference yield:

8-amino-2-naphthalenesulfonic acid (119-28-8) + 1-amino-8-(4-methylphenylsulfonyloxy)naphthalene-3,6-disulfonic acid (6837-93-0) → C27H21N3O12S4

Guidance literature:

1-amino-8-(4-methylphenylsulfonyloxy)naphthalene-3,6-disulfonic acid; With hydrogenchloride; sodium hydroxide; sodium nitrite; In water; at 10 - 15 ℃; for 1h; pH=6 - 7;

8-amino-2-naphthalenesulfonic acid; In water; at 10 - 15 ℃; for 0.5h; pH=4.5 - 5;

Reference yield:

2-(3-sulfopropylthio)-5-acetylaminoaniline + 1-amino-8-(4-methylphenylsulfonyloxy)naphthalene-3,6-disulfonic acid (6837-93-0) → C28H28N4O13S5

Guidance literature:

1-amino-8-(4-methylphenylsulfonyloxy)naphthalene-3,6-disulfonic acid; With hydrogenchloride; sodium nitrite; In water; for 0.5h; pH=6 - 7;

2-(3-sulfopropylthio)-5-acetylaminoaniline; With sodium hydroxide; In water; for 0.0833333h; pH=4 - 5;

upstream raw materials:

4-amino-5-hydroxy-2,7-naphthalenedisulfonic acid

p-toluenesulfonyl chloride

Refernces