1H-Pyrrolo[2,3-B]pyridine-3-carboxylic acid, 1-(phenylsulfonyl)-, ethyl ester

Base Information

Chemical Name:1H-Pyrrolo[2,3-B]pyridine-3-carboxylic acid, 1-(phenylsulfonyl)-, ethyl ester
CAS No.:245064-82-8
Molecular Formula:C16H14 N2 O4 S
Molecular Weight:330.36
Hs Code.:
DSSTox Substance ID:DTXSID10578987
Nikkaji Number:J1.150.204K
Wikidata:Q82469356
Mol file:245064-82-8.mol

Synonyms:245064-82-8;1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLIC ACID, 1-(PHENYLSULFONYL)-, ETHYL ESTER;1-(Phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid ethyl ester;1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid,1-(phenylsulfonyl)-,ethyl ester;DTXSID10578987;ethyl 1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine-3-carboxylate;Ethyl 1-(benzenesulfonyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylate

Suppliers and Price of 1H-Pyrrolo[2,3-B]pyridine-3-carboxylic acid, 1-(phenylsulfonyl)-, ethyl ester

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
1-(PHENYLSULFONYL)-1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLIC ACID ETHYL ESTER 95.00%
5MG
$ 503.26

Total 1 raw suppliers

Chemical Property of 1H-Pyrrolo[2,3-B]pyridine-3-carboxylic acid, 1-(phenylsulfonyl)-, ethyl ester

Chemical Property:

Vapor Pressure:3.18E-11mmHg at 25°C
Refractive Index:1.638
Boiling Point:527.7°C at 760 mmHg
Flash Point:272.9°C
PSA：86.64000
Density:1.35g/cm³
LogP:3.53080
XLogP3:2.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:330.06742811
Heavy Atom Count:23
Complexity:525

Purity/Quality:: 1-(PHENYLSULFONYL)-1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLIC ACID ETHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1=CN(C2=C1C=CC=N2)S(=O)(=O)C3=CC=CC=C3

Technology Process of 1H-Pyrrolo[2,3-B]pyridine-3-carboxylic acid, 1-(phenylsulfonyl)-, ethyl ester

There total 4 articles about 1H-Pyrrolo[2,3-B]pyridine-3-carboxylic acid, 1-(phenylsulfonyl)-, ethyl 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: 94.0%

: 64-17-5
ethanol

: 245064-80-6
1-Phenylsulfonylpyrrolo[2,3-b]pyridine-3-carboxylic acid

: 245064-82-8
1-benzenesulfonyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid ethyl ester

Guidance literature:: With hydrogenchloride;
DOI:10.1016/S0040-4039(99)01138-7

Reference yield:

: 4649-09-6
1H-pyrrolo[2,3-b]pyridin-3-carbaldehyde

: 245064-82-8
1-benzenesulfonyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid ethyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: 92 percent / NaH / tetrahydrofuran / 0 °C

2: 95 percent / NaClO₂; NH₂SO₃H / dioxane; H₂O / 0.5 h / 20 °C

3: 94 percent / HCl

With hydrogenchloride; sodium chlorite; aminosulfonic acid; sodium hydride; In tetrahydrofuran; 1,4-dioxane; water; 1: Substitution / 2: Oxidation / 3: Esterification;
DOI:10.1016/S0040-4039(99)01138-7

Reference yield:

: 98-09-9
benzenesulfonyl chloride

: 245064-82-8
1-benzenesulfonyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid ethyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: 92 percent / NaH / tetrahydrofuran / 0 °C

2: 95 percent / NaClO₂; NH₂SO₃H / dioxane; H₂O / 0.5 h / 20 °C

3: 94 percent / HCl

With hydrogenchloride; sodium chlorite; aminosulfonic acid; sodium hydride; In tetrahydrofuran; 1,4-dioxane; water; 1: Substitution / 2: Oxidation / 3: Esterification;
DOI:10.1016/S0040-4039(99)01138-7