5-Chloro-2-[(4-ethoxy-4-oxobutyl)[(4-methylphenyl)sulfonyl]amino]benzoic acid methyl ester

Base Information

Chemical Name:5-Chloro-2-[(4-ethoxy-4-oxobutyl)[(4-methylphenyl)sulfonyl]amino]benzoic acid methyl ester
CAS No.:247237-43-0
Molecular Formula:C21H24ClNO6S
Molecular Weight:453.944
Hs Code.:
Mol file:247237-43-0.mol

Synonyms:5-Chloro-2-[(3-ethoxycarbonyl-propyl)-(toluene-4-sulfonyl)-amino]-benzoic acid methyl ester;methyl 5-chloro-2-[N-(3-ethoxycarbonyl)propyl-N-p-toluenesulfonyl]aminobenzoate;I06-1507;

Suppliers and Price of 5-Chloro-2-[(4-ethoxy-4-oxobutyl)[(4-methylphenyl)sulfonyl]amino]benzoic acid methyl 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

TRC
Methyl5-Chloro-2-[(4-ethoxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]benzoate
250mg
$ 165.00

American Custom Chemicals Corporation
5-CHLORO-2-[(3-ETHOXYCARBONYL-PROPYL)-(TOLUENE-4-SULFONYL)-AMINO]-BENZOIC ACID METHYL ESTER 95.00%
10G
$ 1334.03

American Custom Chemicals Corporation
5-CHLORO-2-[(3-ETHOXYCARBONYL-PROPYL)-(TOLUENE-4-SULFONYL)-AMINO]-BENZOIC ACID METHYL ESTER 95.00%
5G
$ 909.56

Total 11 raw suppliers

Chemical Property of 5-Chloro-2-[(4-ethoxy-4-oxobutyl)[(4-methylphenyl)sulfonyl]amino]benzoic acid methyl ester

Chemical Property:

Boiling Point:580.4±60.0 °C(Predicted)
PKA:-4.31±0.50(Predicted)
PSA：98.36000
Density:1.30
LogP:5.05440

Purity/Quality:

97% ^*data from raw suppliers

Methyl5-Chloro-2-[(4-ethoxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]benzoate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Uses Methyl 5-Chloro-2-[(4-ethoxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]benzoate can be used as a reactant in the synthesis of Tolvaptan (T536650) and its intermediates. Tolvaptan is a nonpeptide arginine vasopressin (AVP) V2 receptor antagonist.

Technology Process of 5-Chloro-2-[(4-ethoxy-4-oxobutyl)[(4-methylphenyl)sulfonyl]amino]benzoic acid methyl ester

There total 4 articles about 5-Chloro-2-[(4-ethoxy-4-oxobutyl)[(4-methylphenyl)sulfonyl]amino]benzoic acid methyl 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%

: 2969-81-5
Ethyl 4-bromobutyrate

: 247237-38-3
N-p-toluenesulfonyl-5-chloro-anthranilic acid methyl ester

: 247237-43-0
methyl 5-chloro-2-[N-(3-ethoxycarbonyl)propyl-N-p-toluenesulfonyl]aminobenzoate

Guidance literature:: With potassium carbonate; In N,N-dimethyl-formamide; at 120 ℃; for 4h;
DOI:10.1016/S0968-0896(99)00101-7

Reference yield:

: 5202-89-1
4-chlorobenzenesulfonyl chloride

: 247237-43-0
methyl 5-chloro-2-[N-(3-ethoxycarbonyl)propyl-N-p-toluenesulfonyl]aminobenzoate

Guidance literature:: Multi-step reaction with 2 steps

1: 85 percent / pyridine / 20 °C

2: 94 percent / K₂CO₃ / dimethylformamide / 4 h / 120 °C

With pyridine; potassium carbonate; In N,N-dimethyl-formamide; 1: Tosylation / 2: Alkylation;
DOI:10.1016/S0968-0896(99)00101-7

Reference yield:

: 2516-95-2
5-chloro-2-nitrobenzoic acid

: 247237-43-0
methyl 5-chloro-2-[N-(3-ethoxycarbonyl)propyl-N-p-toluenesulfonyl]aminobenzoate

Guidance literature:: Multi-step reaction with 4 steps

1: 100 percent / K₂CO₃ / acetone / 0.5 h / Heating

2: SnCl₂*2H₂O; conc. HCl / ethanol / 20 °C

3: 85 percent / pyridine / 20 °C

4: 94 percent / K₂CO₃ / dimethylformamide / 4 h / 120 °C

With pyridine; hydrogenchloride; potassium carbonate; tin(ll) chloride; In ethanol; N,N-dimethyl-formamide; acetone; 1: Esterification / 2: Reduction / 3: Tosylation / 4: Alkylation;
DOI:10.1016/S0968-0896(99)00101-7