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

Base Information

• Chemical Name: tert-Butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzylcarbamate
• CAS No.: 832114-05-3
• Molecular Formula: C18H28 B N O4
• Molecular Weight: 333.236
• Hs Code.: 2934999090
• European Community (EC) Number: 675-048-4
• DSSTox Substance ID: DTXSID00375245
• Wikidata: Q82163775
• Mol file: 832114-05-3.mol

Synonyms:832114-05-3;tert-Butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzylcarbamate;3-(n-boc-aminomethyl)phenylboronic acid, pinacol ester;Tert-butyl N-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate;3-(N-Boc-aminomethyl)phenylboronic acid pinacol ester;[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-benzyl]-carbamic acid tert-butyl ester;[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl]carbamic acid tert-butyl ester;TFPAM-3 [N-(4-Azido-2,3,5,6-tetrafluorobenzyl)-3-maleimidylpropionamide];(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)carbamic acid tert-butyl ester;SCHEMBL2592478;DTXSID00375245;ANBFXKONRFZJAO-UHFFFAOYSA-N;AMY23662;3-(tert-butoxycarbonylaminomethyl)phenylboronic acid, pinacol ester;MFCD05863917;AKOS015960074;FS-5543;CS-0094717;FT-0648054;4-(AMINOSULFONYL)BENZENESULFONYLCHLORIDE;EN300-781052;F20022;A840531;A1-01195;3-(N-Boc aminomethyl)phenylboronic acid pinacol ester;Z1741964488;3-(tert-Butoxycarbonylaminomethyl)phenylboronic acid pinacol ester;[3-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzyl]-carbamic acid tert-butyl ester;[3-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)benzyl]carbamic acid tert-butyl ester;3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)benzyl]carbamic acid tert-butyl ester;3-(tert-Butoxycarbonylaminomethyl)phenylboronic acid pinacol ester, AldrichCPR;tert-Butyl {[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}carbamate;tert-butyl N-{[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}carbamate;1,1-Dimethylethyl {[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}carbamate

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

Chemical Property:

• Vapor Pressure: 1.17E-08mmHg at 25°C
• Melting Point: 102-104°C
• Refractive Index: 1.503
• Boiling Point: 460.4°C at 760 mmHg
• PKA: 12.21±0.46(Predicted)
• Flash Point: 232.2°C
• PSA: 56.79000
• Density: 1.06g/cm³
• LogP: 3.40140
• Storage Temp.: 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: 442

Purity/Quality:

97% ^*data from raw suppliers

3-(N-Boc-aminomethyl)phenylboronicAcidPinacolEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 4 articles about tert-Butyl 3-(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: 98.98%

bis(pinacol)diborane (73183-34-3) + t-butyl N-(3-bromobenzyl)carbamate (171663-13-1) → tert-butyl (3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)carbamate (832114-05-3)

Guidance literature:

With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; potassium acetate; In 1,4-dioxane; at 80 ℃; for 2h;

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) → tert-butyl (3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)carbamate (832114-05-3)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydrogencarbonate / tetrahydrofuran / 3 h / 20 °C

2: potassium carbonate / (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / 1,4-dioxane / 80 °C

With sodium hydrogencarbonate; potassium carbonate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In tetrahydrofuran; 1,4-dioxane; 2: Suzuki Coupling;

Reference yield:

3-bromobenzylamine (10269-01-9) → tert-butyl (3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)carbamate (832114-05-3)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydrogencarbonate / tetrahydrofuran / 3 h / 20 °C

2: potassium carbonate / (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / 1,4-dioxane / 80 °C

With sodium hydrogencarbonate; potassium carbonate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In tetrahydrofuran; 1,4-dioxane; 2: Suzuki Coupling;

upstream raw materials:

bis(pinacol)diborane

t-butyl N-(3-bromobenzyl)carbamate

di-tert-butyl dicarbonate

3-bromobenzylamine

Downstream raw materials:

tert-butyl 3-(4-chloro-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)benzylcarbamate

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