tert-Butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzylcarbamate

Base Information

• Chemical Name: tert-Butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzylcarbamate
• CAS No.: 330794-35-9
• Molecular Formula: C18H28 B N O4
• Molecular Weight: 333.236
• Hs Code.: 2934999090
• European Community (EC) Number: 690-900-5
• DSSTox Substance ID: DTXSID20392277
• Wikidata: Q82190365
• Mol file: 330794-35-9.mol

Synonyms:330794-35-9;tert-Butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzylcarbamate;4-(N-Boc-aminomethyl)phenylboronic acid pinacol ester;4-((N-BOC-AMINO)METHYL)PHENYLBORONIC ACID PINACOL ESTER;Tert-butyl N-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate;4-(N-Boc-aminomethyl)phenylboronic acid, pinacol ester;tert-Butyl (4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)carbamate;MFCD06409942;4-(TERT-BUTOXYCARBONYLAMINOMETHYL)PHENYLBORONIC ACID, PINACOL ESTER;tert-butyl N-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}carbamate;tert-butyl N-{[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}carbamate;YSZC368;SCHEMBL169651;DTXSID20392277;4-(tert-butoxycarbonylaminomethyl)phenylboronic acid pinacol ester;BCP04245;AKOS015960115;AB23810;AS-2994;[4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzyl]-carbamic acid tert-butyl ester;SY037309;CS-0116442;F20063;EN300-1472355;A821607;J-019010;4-(N-boc-aminomethyl)phenylboronic acid,pinacol ester;Z2044797820;4-((N-BOC-AMINO)METHYL)PHENYLBORONICACIDPINACOLESTER;4-((N-Boc-amino)methyl)phenylboronic acid pinacol ester, AldrichCPR;4-(TERT-BUTOXYCARBONYLAMINOMETHYL)PHENYLBORONIC ACID,PINACOL ESTER;tert-Butyl4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzylcarbamate;4-(tert-Butoxycarbonylaminomethyl)phenylboronic acid, pinacol ester, AldrichCPR;tert-Butyl {[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}carbamate;tert-butyl N-[4-(4,4,5,5-tetramethyl-[1,3,2]-dioxaborolane-2-yl)bezyl]carbamate;tert-butyl n-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl]carbamate;tert-butyl n-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)benzyl]carbamate;N-[[4-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Phenyl]Methyl]Carbamic Acid Tert-Butyl Ester

Chemical Property of tert-Butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzylcarbamate

Chemical Property:

• Vapor Pressure: 2.32E-08mmHg at 25°C
• Boiling Point: 452oC at 760 mmHg
• PKA: 12.16±0.46(Predicted)
• Flash Point: 227.2oC
• PSA: 56.79000
• Density: 1.06g/cm3
• LogP: 3.40140
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 333.2111385
• Heavy Atom Count: 24
• Complexity: 434

Purity/Quality:

97% ^*data from raw suppliers

4-(N-Boc-aminomethyl)phenylboronicacid,pinacolester ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CNC(=O)OC(C)(C)C

Technology Process of tert-Butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzylcarbamate

There total 13 articles about tert-Butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzylcarbamate 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: 99.37%

tert-butyl N-(4-bromobenzyl)carbamate (68819-84-1) + bis(pinacol)diborane (73183-34-3) → tert-butyl N-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate (330794-35-9)

Guidance literature:

With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; potassium acetate; In 1,4-dioxane; at 100 ℃; for 12h; Inert atmosphere;

Reference yield: 99.0%

di-tert-butyl dicarbonate (24424-99-5) + (4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanamine (138500-88-6) → tert-butyl N-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate (330794-35-9)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 2h;

Reference yield: 97.0%

C22H22N4O2S + bis(pinacol)diborane (73183-34-3) → tert-butyl N-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate (330794-35-9)

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate; In dimethyl sulfoxide; at 85 ℃; for 12h; Inert atmosphere;

DOI:10.1021/acs.jmedchem.0c00702

upstream raw materials:

di-tert-butyl dicarbonate

(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanamine

diisopropylethyl amine

4-bromobenzylamine hydrochloride

Downstream raw materials:

C₂₃H₂₉N₃O₃

C₁₆H₁₆N₂O₄

C₄₆H₆₉N₅O₁₃

C₃₀H₃₇N₅O₁₃

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