177736-04-8

Basic information

• Product Name: Benzoic acid, 4-[2-[[(1,1-diMethylethoxy)carbonyl]aMino]ethyl]-, Methyl ester
• Synonyms: Benzoic acid, 4-[2-[[(1,1-diMethylethoxy)carbonyl]aMino]ethyl]-, Methyl ester;methyl4-(2-((tert-butoxycarbonyl)amino)ethyl)benzoate;4-[2-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]ETHYL]-BENZOIC ACID METHYL ESTER
• CAS NO: 177736-04-8
• Molecular Formula: C₁₅H₂₁NO₄
• Molecular Weight: 279.33154
• Mol File: 177736-04-8.mol
• Article Data: 17

Chemical Properties

• Appearance: /
• CAS DataBase Reference: Benzoic acid, 4-[2-[[(1,1-diMethylethoxy)carbonyl]aMino]ethyl]-, Methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Benzoic acid, 4-[2-[[(1,1-diMethylethoxy)carbonyl]aMino]ethyl]-, Methyl ester(177736-04-8)
• EPA Substance Registry System: Benzoic acid, 4-[2-[[(1,1-diMethylethoxy)carbonyl]aMino]ethyl]-, Methyl ester(177736-04-8)

Safety Data

• Hazardous Substances Data: 177736-04-8(Hazardous Substances Data)

Upstream product

• 151937-09-6 3-(4-methoxycarbonylphenyl)propanoic acid 
• 24424-99-5 di-tert-butyl dicarbonate 
• 6737-42-4 1,3-bis-(diphenylphosphino)propane 
• 141807-30-9 N-tert-butoxycarbonyl-2-(4'-trifluoromethanesulfonyloxyphenyl)ethylamine 
• 76469-88-0 methyl 4-(cyanomethyl)benzoate 
• 77265-67-9 4-(2-amino-ethyl)-benzoic acid methyl ester 
• 56161-89-8 4-(2-aminoethyl)-benzoic acid methyl ester-hydrochloride 
• 67-56-1 methanol 
• 132690-91-6 4-[2-(tert-butyloxycarbonylamino)ethyl]benzoic acid 
• 60531-36-4 4-(2-amino-ethyl)-benzoic acid hydrochloride 
• 73918-56-6 4-Bromophenethylamine 
• 201230-82-2 carbon monoxide 
• 120157-97-3 t-butyl 2-(4-bromophenyl)ethylcarbamate 
• 26690-80-2 2-(N-tert-butoxycarbonylamino)ethanol 

Downstream Products

• 421551-76-0 tert-butyl N-{2-[4-(hydroxymethyl)phenyl]ethyl}carbamate 
• 177736-05-9 4-[2-(t-butoxycarbonylamino)ethyl]benzamide 
• 421551-75-9 tert-butyl (4-formylphenethyl)carbamate 
• 1370290-57-5 diethyl 2-(4-(2-(3-(3-(2-methylbenzo[d]thiazol-6-ylamino)-3-oxopropyl)ureido)ethyl)benzyl)malonate 
• 1370290-46-2 C₁₆H₂₃NO₄*ClH 
• 1370290-30-4 2-(4-(2-(3-(3-(2-methylbenzo[d]thiazol-6-ylamino)-3-oxopropyl)ureido)ethyl)benzyl)malonic acid 
• 1370290-44-0 diethyl 2-(4-(2-(tertbutoxycarbonylamino)ethyl)benzylidene)malonate 
• 1370290-43-9 diethyl 2-(4-(2-(tert-butoxycarbonylamino)ethyl)benzylidene)malonate 
• 1370290-45-1 diethyl 2-(4-(2-(tert-butoxycarbonylamino)ethyl)benzyl)malonate 
• 1175090-19-3 methyl 4-(2-((tert-butoxycarbonyl)(methyl)amino)ethyl)benzoate 
• 90513-12-5 4‐(2‐aminoethyl)benzamide 
• 77265-67-9 4-(2-amino-ethyl)-benzoic acid methyl ester 

Relevant articles and documents

Ni-Catalyzed Formal Cross-Electrophile Coupling of Alcohols with Aryl Halides

Direct coupling of unactivated alcohols remains a challenge in current synthetic chemistry. We herein demonstrate a strategy building upon in situ halogenation/reductive coupling of alcohols with aryl halides to forge Csp2-Csp3 bonds. The combination of 2-chloro-3-ethylbenzo[d]oxazol-3-ium salt (CEBO) and TBAB as the mild bromination reagents enables rapid transformation of a wide range of alcohols to their bromide counterparts within one to 5 min in CH3CN and DMF, which is compatible with the Ni-catalyzed cross-electrophile coupling conditions in the presence of a chemical reductant. The present method is suitable for arylation of a myriad of structurally complex alcohols with no need for prepreparation of alkyl halides. More importantly, the mild and kinetically rapid bromination process has shown good selectivity in the bromination/arylation of symmetric diols and less sterically hindered hydroxyl groups in polyols, thus offering promise for selective functionalization of diols and polyols without laborious protecting/deprotecting operations. The practicality of this work is also evident in the arylation of a number of carbohydrates, drug compounds, and naturally occurring alcohols.

Structure-Based Design of Dual-Acting Compounds Targeting Adenosine A2AReceptor and Histone Deacetylase as Novel Tumor Immunotherapeutic Agents

Adenosine is an immunosuppressive factor in the tumor microenvironment mainly through activation of the A2A adenosine receptor (A2AR), which is a mechanism hijacked by tumors to escape immune surveillance. Small-molecule A2AR antagonists are being evaluat

Catalytic Strategy for Regioselective Arylethylamine Synthesis

A mild, modular, and practical catalytic system for the synthesis of the highly privileged phenethylamine pharmacophore is reported. Using a unique combination of organic catalysts to promote the transfer of electrons and hydrogen atoms, this system performs direct hydroarylation of vinyl amine derivatives with a wide range of aryl halides (including aryl chlorides). This general and highly chemoselective protocol delivers a broad range of arylethylamine products with complete regiocontrol. The utility of this process is highlighted by its scalability and the modular synthesis of an array of bioactive small molecules.