(2-Amino-phenyl)-methyl-carbamic acid tert-butyl ester

Base Information

• Chemical Name: (2-Amino-phenyl)-methyl-carbamic acid tert-butyl ester
• CAS No.: 885270-83-7
• Molecular Formula: C12H18 N2 O2
• Molecular Weight: 222.287
• Hs Code.: 2924299090
• European Community (EC) Number: 809-541-4
• DSSTox Substance ID: DTXSID00697616
• Mol file: 885270-83-7.mol

Synonyms:885270-83-7;(2-AMINO-PHENYL)-METHYL-CARBAMIC ACID TERT-BUTYL ESTER;tert-Butyl (2-aminophenyl)(methyl)carbamate;TERT-BUTYL N-(2-AMINOPHENYL)-N-METHYLCARBAMATE;SCHEMBL13311040;DTXSID00697616;MFCD05663971;AKOS011272721;AB22091;tert-Butyl (2-aminophenyl)methylcarbamate;tert-Butyl(2-aminophenyl)(methyl)carbamate;CS-0315480;C78533;(2-Amino-phenyl)-methyl-carbamic acid t-butyl ester;(2-Amino-phenyl)-methyl-carbamic acid tert-butyl ester, AldrichCPR

Chemical Property of (2-Amino-phenyl)-methyl-carbamic acid tert-butyl ester

Chemical Property:

• PSA: 55.56000
• LogP: 3.22130
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 222.136827821
• Heavy Atom Count: 16
• Complexity: 248

Purity/Quality:

98%min ^*data from raw suppliers

tert-Butyl(2-aminophenyl)(methyl)carbamate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N(C)C1=CC=CC=C1N

Technology Process of (2-Amino-phenyl)-methyl-carbamic acid tert-butyl ester

There total 6 articles about (2-Amino-phenyl)-methyl-carbamic acid tert-butyl ester 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: 32.0%

di-tert-butyl dicarbonate (24424-99-5) + N-methyl-1,2-phenylenediamine (4760-34-3) → tert-butyl N-2-aminophenyl-N-methylcarbamate (885270-83-7)

Guidance literature:

In tetrahydrofuran; at 20 ℃;

Reference yield: 22.0%

tert-butyl N-methyl-2-nitrophenylcarbamate → tert-butyl N-2-aminophenyl-N-methylcarbamate (885270-83-7)

Guidance literature:

With sodium dithionite; sodium hydrogencarbonate; In 1,4-dioxane; water; at 100 ℃; for 0.75h;

DOI:10.1021/acs.jmedchem.6b00709

Reference yield:

(2-nitro-phenyl)-carbamic acid tert-butyl ester (54614-93-6) → tert-butyl N-2-aminophenyl-N-methylcarbamate (885270-83-7)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium hydride / N,N-dimethyl-formamide / 0.5 h / 0 °C

1.2: 1.5 h / 0 - 20 °C

2.1: sodium dithionite; sodium hydrogencarbonate / 1,4-dioxane; water / 0.75 h / 100 °C

With sodium dithionite; sodium hydride; sodium hydrogencarbonate; In 1,4-dioxane; water; N,N-dimethyl-formamide;

DOI:10.1021/acs.jmedchem.6b00709

upstream raw materials:

di-tert-butyl dicarbonate

N-methyl-1,2-phenylenediamine

(2-nitro-phenyl)-carbamic acid tert-butyl ester

2-nitro-aniline

Downstream raw materials:

C₁₈H₂₁N₃O₆S

C₁₄H₁₅N₃O₄S

C₁₅H₁₄ClN₃O₅S

C₁₉H₂₃N₃O₆S