tert-Butyl (3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)carbamate

Base Information

• Chemical Name: tert-Butyl (3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)carbamate
• CAS No.: 1256360-04-9
• Molecular Formula: C18H28BNO4
• Molecular Weight: 333.236
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID00682325
• Wikidata: Q82606649
• Mol file: 1256360-04-9.mol

Synonyms:1256360-04-9;tert-Butyl (3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)carbamate;4-(Boc-Amino)-2-methylphenylboronic acid, pinacol ester;4-Bocamino-2-methyl-phenylboronic acid pinacol ester;tert-Butyl 3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenylcarbamate;tert-butyl N-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;4-(Boc-Amino)-2-methylphenylboronic acid pinacol ester;[3-Methyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-carbamic acid tert-butyl ester;tert-butyl N-[3-methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;tert-Butyl [3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;SCHEMBL12072363;DTXSID00682325;YNSJUGFYOGEXHY-UHFFFAOYSA-N;MFCD16295118;AKOS022184154;SB32269;BS-26504;EN300-317180;Z2049923671;tert-Butyl(3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)carbamate

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

Chemical Property:

• Boiling Point: 395.2±42.0 °C(Predicted)
• PKA: 14.00±0.70(Predicted)
• PSA: 56.79000
• Density: 1.06±0.1 g/cm3(Predicted)
• LogP: 3.71420
• Storage Temp.: Room temperature.
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 333.2111385
• Heavy Atom Count: 24
• Complexity: 456

Purity/Quality:

98%+ ^*data from raw suppliers

4-(Boc-Amino)-2-methylphenylboronicAcidPinacolEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

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

There total 3 articles about tert-Butyl (3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)carbamate 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: 77.0%

(4-bromo-3-methylphenyl)carbamic acid tert-butyl ester (654056-82-3) + bis(pinacol)diborane (73183-34-3) → C18H28BNO4 (1256360-04-9)

Guidance literature:

With potassium acetate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In N,N-dimethyl-formamide; at 80 ℃; for 16h;

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) → C18H28BNO4 (1256360-04-9)

Guidance literature:

Multi-step reaction with 2 steps

1: toluene / 40 h / 100 °C / Inert atmosphere

2: potassium acetate / (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / N,N-dimethyl-formamide / 16 h / 80 °C

With potassium acetate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In N,N-dimethyl-formamide; toluene;

Reference yield:

amino-5-bromo-2-toluene (6933-10-4) → C18H28BNO4 (1256360-04-9)

Guidance literature:

Multi-step reaction with 2 steps

1: toluene / 40 h / 100 °C / Inert atmosphere

2: potassium acetate / (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / N,N-dimethyl-formamide / 16 h / 80 °C

With potassium acetate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In N,N-dimethyl-formamide; toluene;

upstream raw materials:

di-tert-butyl dicarbonate

(4-bromo-3-methylphenyl)carbamic acid tert-butyl ester

bis(pinacol)diborane

amino-5-bromo-2-toluene

Downstream raw materials:

C₅₈H₆₄N₂

C₆₂H₇₂N₂

C₄₆H₅₆N₂

C₇₀H₇₀Br₂N₂

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