tert-butyl N-[(4-aminophenyl)methyl]-N-methylcarbamate

Base Information

• Chemical Name: tert-butyl N-[(4-aminophenyl)methyl]-N-methylcarbamate
• CAS No.: 225240-83-5
• Molecular Formula: C13H20N2O2
• Molecular Weight: 236.314
• European Community (EC) Number: 822-356-3
• Mol file: 225240-83-5.mol

Synonyms:225240-83-5;tert-butyl 4-aMinobenzyl(Methyl)carbaMate;tert-butyl N-[(4-aminophenyl)methyl]-N-methylcarbamate;TERT-BUTYL (4-AMINOBENZYL)(METHYL)CARBAMATE;SCHEMBL2227505;ZXZZEBPOSRKQAU-UHFFFAOYSA-N;4-Amino-N-Boc-N-methylbenzylamine;MFCD12413374;AKOS009496326;AS-65093;EN300-224515;W19118;(4-Aminobenzyl)-methyl-carbamic acid tert-butyl ester;tert-butylN-[(4-aminophenyl)methyl]-N-methylcarbamate;(4-Amino-benzyl)-methyl-carbamic acid tert-butyl ester;4-(N-tert.butoxycarbonyl-N-methyl-amino)methyl-aniline;Z425368134

Chemical Property of tert-butyl N-[(4-aminophenyl)methyl]-N-methylcarbamate

Chemical Property:

• PSA: 55.56000
• Density: 1.084
• LogP: 3.21690
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 236.152477885
• Heavy Atom Count: 17
• Complexity: 253

Purity/Quality:

99% ^*data from raw suppliers

tert-butylN-[(4-aminophenyl)methyl]-N-methylcarbamate 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N(C)CC1=CC=C(C=C1)N

Technology Process of tert-butyl N-[(4-aminophenyl)methyl]-N-methylcarbamate

There total 7 articles about tert-butyl N-[(4-aminophenyl)methyl]-N-methylcarbamate 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-((methylamino)methyl)aniline (38020-69-8) → (4-aminobenzyl)(methyl)carbamic acid tert-butyl ester (225240-83-5)

Guidance literature:

In tetrahydrofuran; at 0 - 20 ℃; for 20h;

DOI:10.1021/acsmedchemlett.7b00154

Reference yield: 91.0%

tert-butyl methyl(4-nitrobenzyl)carbamate (689300-32-1) → (4-aminobenzyl)(methyl)carbamic acid tert-butyl ester (225240-83-5)

Guidance literature:

With sodiumsulfide nonahydrate; sodium hydroxide; In methanol; water; for 1h; Reflux; Inert atmosphere;

DOI:10.1021/acs.jmedchem.1c00966

Reference yield: 66.0%

→ (4-aminobenzyl)(methyl)carbamic acid tert-butyl ester (225240-83-5)

Guidance literature:

upstream raw materials:

tert-butyl methyl(4-nitrobenzyl)carbamate

di-tert-butyl dicarbonate

N-methyl-4-nitrobenzylamine

4-((methylamino)methyl)aniline

Downstream raw materials:

{4-[(tert-butoxycarbonylmethylamino)methyl]phenyl}carbamic acid phenyl ester

tert-butyl 4-(2-(4-(1H-pyrrolo[2,3-b]pyridin-1-yl)phenyl)-4-(thiazol-2-yl)-1H-imidazol-1-yl)benzylmethylcarbamate

Refernces

• 1、 -. "SELECTIVE HDAC6 DEGRADERS AND METHODS OF USE THEREOF". Paragraph 00138; 00139. . Retrieved 2021/05/15.
• 2、 -. "SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS". Page/Page column 117. . Retrieved 2010/11/29.