3-Pyridinesulfonic acid, 2-amino-6-methyl-, phenyl ester

Base Information

Chemical Name:3-Pyridinesulfonic acid, 2-amino-6-methyl-, phenyl ester
CAS No.:646053-42-1
Molecular Formula:C₁₂H₁₂N₂O₃S
Molecular Weight:264.305
Hs Code.:
DSSTox Substance ID:DTXSID90476119
Nikkaji Number:J1.932.411G
Wikidata:Q82307096

Synonyms:3-Pyridinesulfonic acid, 2-amino-6-methyl-, phenyl ester;646053-42-1;DTXSID90476119

Suppliers and Price of 3-Pyridinesulfonic acid, 2-amino-6-methyl-, phenyl ester

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

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Chemical Property of 3-Pyridinesulfonic acid, 2-amino-6-methyl-, phenyl ester

Chemical Property:

XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:264.05686342
Heavy Atom Count:18
Complexity:360

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=NC(=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)N

Technology Process of 3-Pyridinesulfonic acid, 2-amino-6-methyl-, phenyl ester

There total 3 articles about 3-Pyridinesulfonic acid, 2-amino-6-methyl-, phenyl ester 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: 54.0%

: 2801-93-6
1-amino-buten-1-en-3-one

: ethyl 2-(phenoxysulfonyl)ethanimidoate hydrochloride

: 646053-42-1
phenyl 2-amino-6-methylpyridine-3-sulfonate

Guidance literature:: With ammonium acetate; In ethanol; for 4h; Heating;
DOI:10.1055/s-2003-40524

Reference yield:

: 52322-43-7
phenyl carbamoylmethanesulfonate

: 646053-42-1
phenyl 2-amino-6-methylpyridine-3-sulfonate

Guidance literature:: Multi-step reaction with 3 steps

1: POCl₃ / 2 h / 60 - 70 °C

2: 2.69 g / HCl / diethyl ether / 2 h / 0 °C

3: 54 percent / NH₄OAc / ethanol / 4 h / Heating

With hydrogenchloride; ammonium acetate; trichlorophosphate; In diethyl ether; ethanol; 2: Pinner reaction;
DOI:10.1055/s-2003-40524

Reference yield:

: 71517-72-1
phenyl cyanomethanesulfonate

: 646053-42-1
phenyl 2-amino-6-methylpyridine-3-sulfonate

Guidance literature:: Multi-step reaction with 2 steps

1: 2.69 g / HCl / diethyl ether / 2 h / 0 °C

2: 54 percent / NH₄OAc / ethanol / 4 h / Heating

With hydrogenchloride; ammonium acetate; In diethyl ether; ethanol; 1: Pinner reaction;
DOI:10.1055/s-2003-40524