Tert-butyl ((4-bromothiazol-2-YL)methyl)carbamate

Base Information

• Chemical Name: Tert-butyl ((4-bromothiazol-2-YL)methyl)carbamate
• CAS No.: 697299-87-9
• Molecular Formula: C9H13BrN2O2S
• Molecular Weight: 293.184
• DSSTox Substance ID: DTXSID101192297
• Mol file: 697299-87-9.mol

Synonyms:TERT-BUTYL ((4-BROMOTHIAZOL-2-YL)METHYL)CARBAMATE;2-(Boc-aminomethyl)-4-bromothiazole;tert-butyl N-[(4-bromo-1,3-thiazol-2-yl)methyl]carbamate;SCHEMBL215719;DTXSID101192297;2-(Boc-aminomethyl)-4-bromothiazol;MFCD13191707;AKOS015969066;CS-W001022;AS-41925;A849487;1,1-Dimethylethyl N-[(4-bromo-2-thiazolyl)methyl]carbamate

Chemical Property of Tert-butyl ((4-bromothiazol-2-YL)methyl)carbamate

Chemical Property:

• Vapor Pressure: 0.000335mmHg at 25°C
• Refractive Index: 1.578
• Boiling Point: 319.6°C at 760 mmHg
• PKA: 10.83±0.46(Predicted)
• Flash Point: 147.1°C
• PSA: 70.67000
• Density: 1.496g/cm³
• LogP: 3.27690
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 291.98811
• Heavy Atom Count: 15
• Complexity: 233

Purity/Quality:

97% ^*data from raw suppliers

tert-Butyl((4-bromothiazol-2-yl)methyl)carbamate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NCC1=NC(=CS1)Br

Technology Process of Tert-butyl ((4-bromothiazol-2-YL)methyl)carbamate

There total 3 articles about Tert-butyl ((4-bromothiazol-2-YL)methyl)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: 72.0%

1-(4-bromo-1,3-thiazol-2-yl)methanamine (697299-86-8) + di-tert-butyl dicarbonate (24424-99-5) → tert-butyl ((4-bromothiazol-2-yl)methyl)carbamate (697299-87-9)

Guidance literature:

In 4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran; at 20 ℃; for 4h;

Reference yield: 68.0%

tert-butyl ((4-bromothiazol-2-yl)(ethoxy)methyl)carbamate → tert-butyl ((4-bromothiazol-2-yl)methyl)carbamate (697299-87-9)

Guidance literature:

With triethylsilane; trifluoroacetic acid; In acetonitrile; at 50 ℃; for 16h;

DOI:10.1021/acs.jmedchem.9b01112

Reference yield:

tert-butyl carbazate (4248-19-5) → tert-butyl ((4-bromothiazol-2-yl)methyl)carbamate (697299-87-9)

Guidance literature:

Multi-step reaction with 2 steps

1: trifluoroacetic acid / acetonitrile / 16 h / 50 °C

2: trifluoroacetic acid; triethylsilane / acetonitrile / 16 h / 50 °C

With triethylsilane; trifluoroacetic acid; In acetonitrile;

DOI:10.1021/acs.jmedchem.9b01112

upstream raw materials:

1-(4-bromo-1,3-thiazol-2-yl)methanamine

di-tert-butyl dicarbonate

tert-butyl carbazate

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