T-Butyl 5-bromo-2-methylphenylcarbamate

Base Information

• Chemical Name: T-Butyl 5-bromo-2-methylphenylcarbamate
• CAS No.: 221538-07-4
• Molecular Formula: C₁₂H₁₆BrNO₂
• Molecular Weight: 286.169
• Hs Code.: 2924299090
• European Community (EC) Number: 803-362-5
• DSSTox Substance ID: DTXSID50444834
• Wikidata: Q82263108
• Mol file: 221538-07-4.mol

Synonyms:221538-07-4;T-BUTYL 5-BROMO-2-METHYLPHENYLCARBAMATE;tert-Butyl (5-bromo-2-methylphenyl)carbamate;tert-butyl N-(5-bromo-2-methylphenyl)carbamate;(5-Bromo-2-methyl-phenyl)-carbamic acid tert-butyl ester;2-BOC-AMINO-4-BROMOTOLUENE;TERT-BUTYL 5-BROMO-2-METHYLPHENYLCARBAMATE;SCHEMBL456674;N-Boc-5-bromo-2-methylaniline;DTXSID50444834;BNVTXJGOUMSADR-UHFFFAOYSA-N;WIA53807;MFCD11504830;AKOS014476073;N-Boc-5-bromo-2-methylaniline, 97%;SB35527;BS-24967;CS-0193486;tert-Butyl(5-bromo-2-methylphenyl)carbamate;E85978;EN300-191680;A878683;Z1258794795

Chemical Property of T-Butyl 5-bromo-2-methylphenylcarbamate

Chemical Property:

• Melting Point: 115-118°C
• PSA: 38.33000
• LogP: 4.17750
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 285.03644
• Heavy Atom Count: 16
• Complexity: 250

Purity/Quality:

97% ^*data from raw suppliers

tert-Butyl5-Bromo-2-methylphenylcarbamate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)Br)NC(=O)OC(C)(C)C

Technology Process of T-Butyl 5-bromo-2-methylphenylcarbamate

There total 1 articles about T-Butyl 5-bromo-2-methylphenylcarbamate 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: 98.0%

di-tert-butyl dicarbonate (24424-99-5) + 5-bromo-2-methylaniline (39478-78-9) → tert-butyl (5-bromo-2-methylphenyl)carbamate (221538-07-4)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃; for 24h;

Reference yield: 81.0%

Langlois reagent (2926-29-6) + tert-butyl (5-bromo-2-methylphenyl)carbamate (221538-07-4) → C13H15BrF3NO2

Guidance literature:

With dipotassium peroxodisulfate; 4',5'-Dichlorofluorescein; In dimethyl sulfoxide; at 23 - 25 ℃; for 11h;

DOI:10.1002/anie.202105631

Reference yield: 77.0%

tert-butyl (5-bromo-2-methylphenyl)carbamate (221538-07-4) + methyl iodide (74-88-4) → tert-butyl 5-bromo-2-methylphenyl(methyl)carbamate

Guidance literature:

With sodium hydride; In tetrahydrofuran; at 75 ℃; for 3h;

upstream raw materials:

di-tert-butyl dicarbonate

5-bromo-2-methylaniline

Downstream raw materials:

(2-methyl-5-phenylsulfanyl-phenyl)-carbamic acid tert-butyl ester

Refernces

• 1、 -. "MK2 INHIBITORS AND USES THEREOF". Paragraph 001125. . Retrieved 2014/10/03.