4-Bromo-2-methoxy-N-Boc-aniline

Base Information

• Chemical Name: 4-Bromo-2-methoxy-N-Boc-aniline
• CAS No.: 262433-01-2
• Molecular Formula: C12H16 Br N O3
• Molecular Weight: 302.168
• Hs Code.: 2924299090
• European Community (EC) Number: 672-418-7
• DSSTox Substance ID: DTXSID50373711
• Wikidata: Q82162013
• Mol file: 262433-01-2.mol

Synonyms:4-Bromo-2-methoxy-N-Boc-aniline;262433-01-2;tert-butyl N-(4-bromo-2-methoxyphenyl)carbamate;tert-butyl (4-bromo-2-methoxyphenyl)carbamate;tert-butyl 4-bromo-2-methoxyphenylcarbamate;(4-bromo-2-methoxy-phenyl)-carbamic acid tert-butyl ester;SCHEMBL2074231;DTXSID50373711;LFWHJZGNFWTUIO-UHFFFAOYSA-N;MFCD03426369;AKOS024388204;Carbamic acid, (4-bromo-2-methoxyphenyl)-, 1,1-dimethylethyl ester (9CI);AS-37133;CS-0068116;EN300-211729;tert-butyl-N-(4-bromo-2-methoxyphenyl)carbamate

Chemical Property of 4-Bromo-2-methoxy-N-Boc-aniline

Chemical Property:

• Vapor Pressure: 0.000496mmHg at 25°C
• Refractive Index: 1.558
• Boiling Point: 313.5°Cat760mmHg
• Flash Point: 143.4°C
• PSA: 47.56000
• Density: 1.382g/cm³
• LogP: 3.87770
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 301.03136
• Heavy Atom Count: 17
• Complexity: 265

Purity/Quality:

98%min ^*data from raw suppliers

4-Bromo-2-methoxy-n-boc-aniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC1=C(C=C(C=C1)Br)OC

Technology Process of 4-Bromo-2-methoxy-N-Boc-aniline

There total 1 articles about 4-Bromo-2-methoxy-N-Boc-aniline 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: 100.0%

di-tert-butyl dicarbonate (24424-99-5) + 4-bromo-2-methoxyaniline (59557-91-4) → (4-bromo-2-methoxyphenyl)carbamic acid tert-butyl ester (262433-01-2)

Guidance literature:

In tetrahydrofuran; for 15h; Heating / reflux;

Reference yield: 85.9%

4-pyridylboronic acid (1692-15-5) + (4-bromo-2-methoxyphenyl)carbamic acid tert-butyl ester (262433-01-2) → tert-butyl (2-methoxy-4-(pyridin-4-yl)phenyl)aminocarboxylate

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium carbonate; In 1,4-dioxane; water; at 90 ℃; Inert atmosphere;

Reference yield: 83.0%

bis(pinacol)diborane (73183-34-3) + (4-bromo-2-methoxyphenyl)carbamic acid tert-butyl ester (262433-01-2) → tert-Butyl N-[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-carbamate (262433-02-3)

Guidance literature:

With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; potassium acetate; In N,N-dimethyl-formamide; at 80 ℃; Inert atmosphere;

upstream raw materials:

di-tert-butyl dicarbonate

4-bromo-2-methoxyaniline

Downstream raw materials:

tert-butyl-N-{4-[allyl(dimethyl)silyl]-2-methoxyphenyl}carbamate

2-methoxyacetanilide

N-(2-methoxyphenyl)benzamide

2-chloro-N-(2-methoxyphenyl)acetamide

Refernces

• 1、 -. "Polymerizable liquid crystal compound". Paragraph 0117; 0118. . Retrieved 2019/04/02.
• 2、 -. "Thienopyridine and furopyridine kinase inhibitors". . . Retrieved 2008/06/13.