t-Butyl 2-(4-bromophenylsulfonamido)ethylcarbamate

Base Information

• Chemical Name: t-Butyl 2-(4-bromophenylsulfonamido)ethylcarbamate
• CAS No.: 310480-85-4
• Molecular Formula: C13H19 Br N2 O4 S
• Molecular Weight: 379.275
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID00428427
• Mol file: 310480-85-4.mol

Synonyms:310480-85-4;t-Butyl 2-(4-bromophenylsulfonamido)ethylcarbamate;tert-Butyl (2-(4-bromophenylsulfonamido)ethyl)carbamate;tert-butyl N-[2-[(4-bromophenyl)sulfonylamino]ethyl]carbamate;tert-butyl (2-((4-bromophenyl)sulfonamido)ethyl)carbamate;[2-[[(4-Bromophenyl)sulfonyl]amino]ethyl]carbamic acid tert-butyl ester;SCHEMBL5308838;tert-Butyl(2-(4-bromophenylsulfonamido)ethyl)carbamate;DTXSID00428427;NBFPYRUCEUVPFK-UHFFFAOYSA-N;MFCD06659915;AKOS015835618;BS-22293;CS-0450849;F87285;A876039;tert-Butyl {2-[(4-bromobenzene-1-sulfonyl)amino]ethyl}carbamate;TERT-BUTYL N-[2-(4-BROMOBENZENESULFONAMIDO)ETHYL]CARBAMATE;(tert-butoxy)-n-(2-{[(4-bromophenyl)sulfonyl]amino}ethyl)carboxamide;1,1-dimethylethyl (2-{[(4-bromophenyl)sulfonyl]amino}ethyl)carbamate

Chemical Property of t-Butyl 2-(4-bromophenylsulfonamido)ethylcarbamate

Chemical Property:

• Boiling Point: °Cat760mmHg
• PKA: 10.59±0.50(Predicted)
• Flash Point: °C
• PSA: 92.88000
• Density: 1.417 g/cm³
• LogP: 4.11470
• Storage Temp.: 2-8°C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 378.02489
• Heavy Atom Count: 21
• Complexity: 434

Purity/Quality:

98%min ^*data from raw suppliers

t-Butyl2-(4-bromophenylsulfonamido)ethylcarbamate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NCCNS(=O)(=O)C1=CC=C(C=C1)Br

Technology Process of t-Butyl 2-(4-bromophenylsulfonamido)ethylcarbamate

There total 3 articles about t-Butyl 2-(4-bromophenylsulfonamido)ethylcarbamate 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: 100.0%

N-BOC-1,2-diaminoethane (57260-73-8) + 4-bromobenzenesulfonyl chloride (98-58-8) → tert-butyl (2-((4-Bromophenyl)sulfonamido)ethyl)carbamate (310480-85-4)

Guidance literature:

With hydrogenchloride; sodium hydrogencarbonate; triethylamine; sodium chloride; In dichloromethane; ethyl acetate;

Reference yield: 96.0%

N-BOC-1,2-diaminoethane (57260-73-8) + 4-bromo-benzenesulfonate chloride → tert-butyl (2-((4-Bromophenyl)sulfonamido)ethyl)carbamate (310480-85-4)

Guidance literature:

With triethylamine; In dichloromethane;

DOI:10.1016/j.ejmech.2021.113699

Reference yield:

4-bromobenzenesulfonyl chloride (98-58-8) → tert-butyl (2-((4-Bromophenyl)sulfonamido)ethyl)carbamate (310480-85-4)

Guidance literature:

N-BOC-1,2-diaminoethane; With triethylamine; In dichloromethane; for 0.166667h;

4-bromobenzenesulfonyl chloride; In dichloromethane; at 20 ℃;

upstream raw materials:

4-bromobenzenesulfonyl chloride

N-BOC-1,2-diaminoethane

Downstream raw materials:

1,1-dimethylethyl {2-[({4-[2-(1,1-dimethylethyl)-5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl}sulfonyl)amino]ethyl}carbamate

1,1-dimethylethyl [2-({[4-(5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]sulfonyl}amino)ethyl]carbamate

1,1-dimethylethyl [2-({[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfonyl}amino)ethyl]carbamate

Refernces

• 1、 Baumann, Georg,Meckel, Tobias,B?hm, Kevin,Shih, Yung-Hsin,Dickhaut, Mirco,Reichardt, Torben,Pilakowski, Johannes,Pehl, Ulrich,Schmidt, Boris. "Illuminating a Dark Kinase: Structure-Guided Design, Synthesis, and Evaluation of a Potent Nek1 Inhibitor and Its Effects on the Embryonic Zebrafish Pronephros". . . Retrieved 2021/04/12.
• 2、 -. "NOVEL COMPOUNDS". Page/Page column 66. . Retrieved 2009/10/22.