[2-(2-Amino-phenyl)-ethyl]-carbamic acid tert-butyl ester

Base Information

• Chemical Name: [2-(2-Amino-phenyl)-ethyl]-carbamic acid tert-butyl ester
• CAS No.: 180147-34-6
• Molecular Formula: C13H20 N2 O2
• Molecular Weight: 236.31
• Hs Code.: 2924299090
• European Community (EC) Number: 961-442-6
• DSSTox Substance ID: DTXSID50591579
• Wikidata: Q82485377
• Mol file: 180147-34-6.mol

Synonyms:180147-34-6;[2-(2-AMINO-PHENYL)-ETHYL]-CARBAMIC ACID TERT-BUTYL ESTER;TERT-BUTYL 2-AMINOPHENETHYLCARBAMATE;tert-butyl N-[2-(2-aminophenyl)ethyl]carbamate;[2-(2-Aminophenyl)ethyl]carbamic acid tert-butyl ester;Carbamic acid, N-[2-(2-aminophenyl)ethyl]-, 1,1-dimethylethyl ester;SCHEMBL1231492;DTXSID50591579;NRAJUZPLCXKIRP-UHFFFAOYSA-N;MFCD05663959;AKOS015909491;AB22062;AS-11287;TERT-BUTYL2-AMINOPHENETHYLCARBAMATE;DB-008738;CS-0340737;tert-Butyl [2-(2-aminophenyl)ethyl]carbamate;D87323;[(2-Aminophenyl)ethyl]carbamic acid tert-butyl ester;[2-(2-Amino-phenyl)-ethyl]-carbamic acid tert-butylester;[2-(2-Amino-phenyl)-ethyl]-carbamic acid tert-butyl ester, AldrichCPR

Chemical Property of [2-(2-Amino-phenyl)-ethyl]-carbamic acid tert-butyl ester

Chemical Property:

• Boiling Point: 397.0±25.0 °C(Predicted)
• PKA: 12.61±0.46(Predicted)
• PSA: 64.35000
• Density: 1.077±0.06 g/cm3(Predicted)
• LogP: 3.30810
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 236.152477885
• Heavy Atom Count: 17
• Complexity: 248

Purity/Quality:

97% ^*data from raw suppliers

[2-(2-Amino-phenyl)-ethyl]-carbamicacidtert-butylester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NCCC1=CC=CC=C1N

Technology Process of [2-(2-Amino-phenyl)-ethyl]-carbamic acid tert-butyl ester

There total 5 articles about [2-(2-Amino-phenyl)-ethyl]-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: 100.0%

di-tert-butyl dicarbonate (24424-99-5) + β-(o-aminophenyl)ethylamine (48108-93-6) → [2-(2-aminophenyl)ethyl]carbamic acid tert-butyl ester (180147-34-6)

Guidance literature:

In 1,4-dioxane;

DOI:10.1021/jm0202932

Reference yield: 100.0%

→ [2-(2-aminophenyl)ethyl]carbamic acid tert-butyl ester (180147-34-6)

Guidance literature:

Reference yield: 95.0%

[2-(2-nitrophenyl)ethyl]carbamic acid tert-butyl ester (180147-33-5) → [2-(2-aminophenyl)ethyl]carbamic acid tert-butyl ester (180147-34-6)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; water; acetic acid; for 2.5h; under 760.051 Torr;

DOI:10.1016/j.bmc.2009.08.065

upstream raw materials:

di-tert-butyl dicarbonate

β-(o-aminophenyl)ethylamine

2-nitro-benzeneacetonitrile

2-aminophenylacetonitrile

Downstream raw materials:

(S)-tert-butyl 2-(2-{9H-fluoren-9-ylmethylcarbamoyl}-5-nitroguanidinopentanamido)phenethylcarbamate

N-(4S)-{4-Amino-5-[2-(2-aminoethyl)phenylamino]-pentyl}-N'-nitroguanidine

C₂₄H₄₁N₇O₆

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