3-Amino-4-methoxybenzenesulfonic acid

Base Information

• Chemical Name: 3-Amino-4-methoxybenzenesulfonic acid
• CAS No.: 98-42-0
• Deprecated CAS: 1323572-06-0
• Molecular Formula: C7H9NO4S
• Molecular Weight: 203.219
• Hs Code.: 29222990
• European Community (EC) Number: 202-667-5
• NSC Number: 74459
• UNII: UC28556HZC
• DSSTox Substance ID: DTXSID9059171
• Nikkaji Number: J4.952B
• Wikidata: Q18472671
• Mol file: 98-42-0.mol

Synonyms:3-Amino-4-methoxybenzenesulfonic acid;98-42-0;4-Methoxymetanilic acid;o-Anisidine-4-sulfonic acid;Benzenesulfonic acid, 3-amino-4-methoxy-;2-Methoxyaniline-5-sulfonic acid;o-Anisidine-5-sulfonic Acid;2-Methoxy-5-sulfoaniline;o-Anisidine-p-sulfonic acid;Metanilic acid, 4-methoxy-;UC28556HZC;EINECS 202-667-5;MFCD00035759;NSC 74459;NSC-74459;3-Amino-4-methoxybenzenesulphonic acid;EC 202-667-5;2-Anisidine-4-sulfonicacid;2-Aminoanisole-4-sulfonic Acid;o-Anisidin-p-sulfosaure;UNII-UC28556HZC;SCHEMBL155353;DTXSID9059171;2-amino anisole-4-sulfonic acid;3-amino-4-methoxybenzensulfonsyre;NSC74459;3-Amino-4-methoxybenzenesulfonicacid;AKOS000273785;3-Amino-4-Methoxylbenzenesulfonic Acid;AC-22495;AS-14326;Benzenesulfonic acid,3-amino-4-methoxyl-;3-Amino-4-methoxybenzenesulfonic acid, 98%;A0491;ammonia;benzene;hydrogen sulfite;methanol;Benzenesulfonic acid , 3-amino-4-methoxyl-;CS-0063796;FT-0611283;D70672;A845857;AE-562/43387290;W-100081;Q18472671

Chemical Property of 3-Amino-4-methoxybenzenesulfonic acid

Chemical Property:

• Appearance/Colour: off-white crystalline powder
• Vapor Pressure: 0Pa at 25℃
• Melting Point: 305 °C (dec.)(lit.)
• Refractive Index: 1.6370 (estimate)
• Boiling Point: 386.91℃
• PKA: -0.91±0.50(Predicted)
• PSA: 98.00000
• Density: 1.467 g/cm³
• LogP: 2.18610
• Storage Temp.: 2-8°C
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 203.02522894
• Heavy Atom Count: 13
• Complexity: 258

Purity/Quality:

99.9% ^*data from raw suppliers

3-Amino-4-methoxybenzenesulfonic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,Xi
• Hazard Codes: C,Xi
• Statements: 34-43-36/37/38
• Safety Statements: 26-36/37/39-45-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)S(=O)(=O)O)N

Technology Process of 3-Amino-4-methoxybenzenesulfonic acid

There total 6 articles about 3-Amino-4-methoxybenzenesulfonic acid 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:

2-methoxy-phenylamine (90-04-0) → 3-amino-4-methoxybenzene sulfonic acid (98-42-0,167860-86-8)

Guidance literature:

durch Sulfurieren;

Reference yield:

→ 3-amino-4-methoxybenzene sulfonic acid (98-42-0,167860-86-8)

Guidance literature:

With hydrogenchloride; tin(ll) chloride;

Reference yield:

→ 3-amino-4-methoxybenzene sulfonic acid (98-42-0,167860-86-8)

Guidance literature:

With hydrogenchloride; tin;

DOI:10.1039/jr9320000715

upstream raw materials:

2-methoxy-phenylamine

sulfuric acid

hydrogenchloride

4-methoxy-3-nitro-benzenesulfonic acid

Downstream raw materials:

3-(N-p-toluenesulfonamido)-4-methoxybenzensulfonic acid sodium salt

C₁₅H₁₇N₃O₆S

C₁₆H₁₈N₂O₄S

Refernces

PdCl₂ and NiCl₂-catalyzed hydrogen-halogen exchange for the convenient preparation of bromo- and iodosilanes and germanes

10.1016/S0022-328X(02)02147-2

The research investigates a method for synthesizing bromo- and iodosilanes, as well as germanes, using a hydrogen–halogen exchange reaction catalyzed by PdCl2 or NiCl2. The purpose of the study is to develop a versatile and convenient synthetic route for these compounds, which are important reagents in the creation of various organosilicon and germanium compounds. The researchers found that treating hydrosilanes with alkyl or allyl bromides in the presence of a catalytic amount of PdCl2 or NiCl2 resulted in the formation of bromosilanes in good to high yields. Similarly, using alkyl iodides led to the formation of iodosilanes. The reactions were more efficient with PdCl2, but NiCl2 was also effective, albeit with lower activity. The study concludes that this method provides a practical and economic way to synthesize a variety of bromo- and iodosilanes and germanes, which could be useful in the synthesis of complex organosilicon and germanium compounds. However, the selective halogenation of partially halogenated products remains a challenge, as the reactions tend to produce fully halogenated compounds even at early stages.

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