tert-Butyl (1-(3-aminophenyl)ethyl)carbamate

Base Information

• Chemical Name: tert-Butyl (1-(3-aminophenyl)ethyl)carbamate
• CAS No.: 180079-59-8
• Molecular Formula: C13H20 N2 O2
• Molecular Weight: 236.31
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID30587632
• Mol file: 180079-59-8.mol

Synonyms:180079-59-8;tert-Butyl N-[1-(3-aminophenyl)ethyl]carbamate;tert-Butyl (1-(3-aminophenyl)ethyl)carbamate;[1-(3-AMINO-PHENYL)-ETHYL]-CARBAMIC ACID TERT-BUTYL ESTER;tert-Butyl [1-(3-aminophenyl)ethyl]carbamate;Carbamic acid, [1-(3-aminophenyl)ethyl]-, 1,1-dimethylethyl ester (9CI);Carbamic acid,[1-(3-aminophenyl)ethyl]-, 1,1-dimethylethyl ester (9CI);SCHEMBL4960665;DTXSID30587632;QZEKBDHFLADZKW-UHFFFAOYSA-N;MFCD06660373;AKOS005257362;MCULE-3620012013;SS-4308;tert-butyl 1-(3-aminophenyl)ethylcarbamate;CS-0316396;Y13667;tert-Butyl N-[(1,3-aminophenyl)ethyl]carbamate;J-524330;n-t-butyloxycarbonyl-3-amino-alpha-methylbenzylamine

Chemical Property of tert-Butyl (1-(3-aminophenyl)ethyl)carbamate

Chemical Property:

• Vapor Pressure: 3.15E-06mmHg at 25°C
• Refractive Index: 1.534
• Boiling Point: 388°Cat760mmHg
• PKA: 12.13±0.46(Predicted)
• Flash Point: 188.5°C
• PSA: 64.35000
• Density: 1.073g/cm³
• LogP: 3.82660
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 236.152477885
• Heavy Atom Count: 17
• Complexity: 261

Purity/Quality:

98%min ^*data from raw suppliers

tert-Butyl [1-(3-aminophenyl)ethyl]carbamate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of tert-Butyl (1-(3-aminophenyl)ethyl)carbamate

There total 3 articles about tert-Butyl (1-(3-aminophenyl)ethyl)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: 78.0%

→ tert-butyl (1-(3-aminophenyl)ethyl)carbamate (180079-59-8,1610767-01-5)

Guidance literature:

Reference yield:

tin(II)chloride dihydrate + N-(1-(3-nitrophenyl)ethyl)carbamic acid t-butyl ester (180079-58-7) → tert-butyl (1-(3-aminophenyl)ethyl)carbamate (180079-59-8,1610767-01-5)

Guidance literature:

In N-methyl-acetamide; dichloromethane;

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) + 2-(3-aminophenyl)ethylamine (76935-75-6) → tert-butyl (1-(3-aminophenyl)ethyl)carbamate (180079-59-8,1610767-01-5)

Guidance literature:

upstream raw materials:

di-tert-butyl dicarbonate

2-(3-aminophenyl)ethylamine

N-(1-(3-nitrophenyl)ethyl)carbamic acid t-butyl ester