Benzyl N-(2-amino-2-phenylethyl)carbamate

Base Information

• Chemical Name: Benzyl N-(2-amino-2-phenylethyl)carbamate
• CAS No.: 1041261-05-5
• Molecular Formula: C16H18N2O2
• Molecular Weight: 270.33
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID60597406
• Mol file: 1041261-05-5.mol

Synonyms:1041261-05-5;Benzyl N-(2-amino-2-phenylethyl)carbamate;84477-93-0;(2-Amino-2-phenyl-ethyl)-carbamic acid benzyl ester;Benzyl (2-amino-2-phenylethyl)carbamate;N-Cbz-2-amino-2-phenylethylamine;(R)-(2-Amino-2-phenyl-ethyl)-carbamic acid benzyl ester;1932392-16-9;(S)-benzyl 2-amino-2-phenylethylcarbamate;SCHEMBL7426643;DTXSID60597406;n-cbz-2-amino-2-phenylethyl amine;MFCD09998941;AKOS015854614;Benzyl(2-amino-2-phenylethyl)carbamate;SB30343;SB34773;SB38963;DB-011773;DB-246786;C78499

Chemical Property of Benzyl N-(2-amino-2-phenylethyl)carbamate

Chemical Property:

• Boiling Point: 460.8 °C at 760 mmHg
• Flash Point: 232.5 °C
• PSA: 64.35000
• Density: 1.161 g/cm³
• LogP: 3.70400
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 270.136827821
• Heavy Atom Count: 20
• Complexity: 284

Purity/Quality:

98%min ^*data from raw suppliers

(S)-(2-Amino-2-phenyl-ethyl)-carbamicacidbenzylester 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC(=O)NCC(C2=CC=CC=C2)N

Technology Process of Benzyl N-(2-amino-2-phenylethyl)carbamate

There total 5 articles about Benzyl N-(2-amino-2-phenylethyl)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: 77.0%

benzyl N-(((S)-tert-butylsulfenamide)-2-phenylethyl)carbamate → benzyl N-(2-amino-2-phenylethyl)carbamate (1041261-05-5,84477-93-0)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; methanol; for 1h;

Reference yield:

benzaldehyde (100-52-7) → benzyl N-(2-amino-2-phenylethyl)carbamate (1041261-05-5,84477-93-0)

Guidance literature:

Multi-step reaction with 5 steps

1.1: titanium(IV) isopropylate / tetrahydrofuran / 4 h / 60 °C

2.1: potassium tert-butylate / tetrahydrofuran / 1 h / 0 °C / Inert atmosphere

2.2: 24 h / 20 - 30 °C / Inert atmosphere

3.1: Raney nickel / methanol / 24 h / 20 - 30 °C

4.1: triethylamine / tetrahydrofuran / 1 h

5.1: hydrogenchloride / methanol; 1,4-dioxane / 1 h

With titanium(IV) isopropylate; hydrogenchloride; potassium tert-butylate; triethylamine; In tetrahydrofuran; 1,4-dioxane; methanol;

Reference yield:

(S)-N-benzylidene-2-methylpropane-2-sulfinamide (862776-58-7) → benzyl N-(2-amino-2-phenylethyl)carbamate (1041261-05-5,84477-93-0)

Guidance literature:

Multi-step reaction with 4 steps

1.1: potassium tert-butylate / tetrahydrofuran / 1 h / 0 °C / Inert atmosphere

1.2: 24 h / 20 - 30 °C / Inert atmosphere

2.1: Raney nickel / methanol / 24 h / 20 - 30 °C

3.1: triethylamine / tetrahydrofuran / 1 h

4.1: hydrogenchloride / methanol; 1,4-dioxane / 1 h

With hydrogenchloride; potassium tert-butylate; triethylamine; In tetrahydrofuran; 1,4-dioxane; methanol;

upstream raw materials:

(S)-N-benzylidene-2-methylpropane-2-sulfinamide

benzaldehyde

(S,S_S)-N-(tert-butylsulfinyl)-2-nitro-1-phenylethanamine

Refernces

• 1、 -. "Compound for inhibiting ROCK and application of compound". Paragraph 0043; 0060-0063. . Retrieved 2019/01/23.