V9T3QZ4Clq

Base Information

Chemical Name:V9T3QZ4Clq
CAS No.:181272-10-6
Molecular Formula:C₂₁H₂₆ClN₃O₆S₂
Molecular Weight:516.039
Hs Code.:
UNII:V9T3QZ4CLQ
ChEMBL ID:CHEMBL12432

Synonyms:HMR-1402 free acid;V9T3QZ4CLQ;CHEMBL12432;UNII-V9T3QZ4CLQ;CHEMBL-12432;181272-10-6;5-Chloro-2-methoxy-N-(2-(4-(2-methoxyethoxy)-3-(((Z)-N-methyl-(C-sulfanylcarbonimidoyl)amino)sulfonyl)phenyl)ethyl)benzamide;Benzamide, 5-chloro-2-methoxy-N-(2-(4-(2-methoxyethoxy)-3-((((methylamino)thioxomethyl)amino)sulfonyl)phenyl)ethyl)-;SCHEMBL726272;HRGHDAQJEIQZCM-UHFFFAOYSA-N;1-(5-(2-(5-Chloro-2-methoxybenzamido)ethyl)-2-(2-methoxyethoxy)phenylsulfonyl)-3-methylthiourea

Suppliers and Price of V9T3QZ4Clq

Supply Marketing:

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

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Chemical Property of V9T3QZ4Clq

Chemical Property:

XLogP3:2.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:11
Exact Mass:515.0951556
Heavy Atom Count:33
Complexity:736

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CNC(=S)NS(=O)(=O)C1=C(C=CC(=C1)CCNC(=O)C2=C(C=CC(=C2)Cl)OC)OCCOC

Technology Process of V9T3QZ4Clq

There total 7 articles about V9T3QZ4Clq 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:

: 556-61-6
methyl thioisocyanate

: 181272-12-8
5-(2-(5-chloro-2-methoxybenzamido)ethyl)-2-(2-methoxyethoxy)-benzenesulfonamide

: 181272-10-6
1-[[5-[2-(5-chloro-2-methoxybenzamido)ethyl]-2-(2-methoxyethoxy)phenyl]sulfonyl]-3-methylthiourea

Guidance literature:: With potassium tert-butylate; In N,N-dimethyl-formamide; at 80 ℃; for 1h;
DOI:10.1021/jm000985v

Reference yield:

: 3438-16-2
5-chloro-2-methoxybenzoic acid

: 181272-10-6
1-[[5-[2-(5-chloro-2-methoxybenzamido)ethyl]-2-(2-methoxyethoxy)phenyl]sulfonyl]-3-methylthiourea

Guidance literature:: Multi-step reaction with 2 steps

1: N,N'-carbonyldiimidazole; TEA / tetrahydrofuran / 12 h / 20 °C

2: KOtBu / dimethylformamide / 1 h / 80 °C

With TEA; potassium tert-butylate; 1,1'-carbonyldiimidazole; In tetrahydrofuran; N,N-dimethyl-formamide;
DOI:10.1021/jm000985v

Reference yield:

: 125960-59-0
2-Methoxy-5-(2-(2,2,2-trifluoroacetamido)ethyl)benzenesulfonamide

: 181272-10-6
1-[[5-[2-(5-chloro-2-methoxybenzamido)ethyl]-2-(2-methoxyethoxy)phenyl]sulfonyl]-3-methylthiourea

Guidance literature:: Multi-step reaction with 6 steps

1: 85 percent / dimethylformamide / 3 h

2: 95 percent / BBr₃ / CH₂Cl₂ / 5 h / 20 °C

3: K₂CO₃ / dimethylformamide / 3 h / 80 °C

4: 5.5N aq. HCl / methanol / 8 h / Heating

5: N,N'-carbonyldiimidazole; TEA / tetrahydrofuran / 12 h / 20 °C

6: KOtBu / dimethylformamide / 1 h / 80 °C

With hydrogenchloride; TEA; potassium tert-butylate; boron tribromide; potassium carbonate; 1,1'-carbonyldiimidazole; In tetrahydrofuran; methanol; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/jm000985v