tert-Butyl (2-(benzylamino)ethyl)carbamate

Base Information

• Chemical Name: tert-Butyl (2-(benzylamino)ethyl)carbamate
• CAS No.: 174799-52-1
• Molecular Formula: C14H22N2O2
• Molecular Weight: 250.341
• European Community (EC) Number: 832-405-0
• DSSTox Substance ID: DTXSID60442826
• Nikkaji Number: J1.185.380C
• Wikidata: Q82260349
• Mol file: 174799-52-1.mol

Synonyms:174799-52-1;tert-Butyl (2-(benzylamino)ethyl)carbamate;N-Benzyl-N'-boc-ethylenediamine;Tert-butyl N-[2-(benzylamino)ethyl]carbamate;N2-Boc-N1-benzyl-1,2-ethylenediamine;MFCD04114275;tert-butyl [2-(benzylamino)ethyl]carbamate;tert-butyl 2-(benzylamino)ethylcarbamate;tert-Butyl(2-(benzylamino)ethyl)carbamate;SCHEMBL894822;DTXSID60442826;ZSJCBAQDXIZTTC-UHFFFAOYSA-N;ZGA79952;AKOS016009160;DS-4483;SY038705;tert-Butyl-N-(2-benzylaminoethyl)carbamate;CS-0154359;FT-0755828;EN300-135500;F12030;A911715;N-[2-(Benzylamino)ethyl]carbamic acid tert-butyl ester;Z1070928946;Carbamic acid, N-[2-[(phenylmethyl)amino]ethyl]-, 1,1-dimethylethyl ester

Chemical Property of tert-Butyl (2-(benzylamino)ethyl)carbamate

Chemical Property:

• PSA: 53.85000
• LogP: 2.89620
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 250.168127949
• Heavy Atom Count: 18
• Complexity: 243

Purity/Quality:

97% ^*data from raw suppliers

tert-Butyl(2-(Benzylamino)ethyl)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)NCCNCC1=CC=CC=C1

Technology Process of tert-Butyl (2-(benzylamino)ethyl)carbamate

There total 15 articles about tert-Butyl (2-(benzylamino)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: 96.0%

2-(tert-Butoxycarbonyloxyimino)-2-phenylacetonitrile (58632-95-4) + N-benzylethylenediamine (4152-09-4) → tert-butyl {2-[benzylamino]ethyl}carbamate (174799-52-1)

Guidance literature:

In methanol; at 20 ℃; for 72h;

Reference yield: 92.0%

N-BOC-1,2-diaminoethane (57260-73-8) + benzaldehyde (100-52-7) → tert-butyl {2-[benzylamino]ethyl}carbamate (174799-52-1)

Guidance literature:

N-BOC-1,2-diaminoethane; benzaldehyde; In methanol; at 20 ℃; Molecular sieve;

With methanol; sodium tetrahydroborate; at -10 - 20 ℃; for 16h;

Reference yield: 81.0%

N-tert-Butoxycarbonyl-N-trifluoromethylsulfonyl-4-trifluoromethylanilide (250296-58-3) + N-benzylethylenediamine (4152-09-4) → tert-butyl {2-[benzylamino]ethyl}carbamate (174799-52-1)

Guidance literature:

With dmap; In tetrahydrofuran; at -20 ℃; for 5h;

DOI:10.1039/a905561d

upstream raw materials:

(2-{Benzyl-[4-(4,8-dimethoxy-naphthalen-1-ylmethyl)-benzenesulfonyl]-amino}-ethyl)-carbamic acid tert-butyl ester

N-BOC-1,2-diaminoethane

benzaldehyde

Boc-glycine-benzylamide

Downstream raw materials:

benzyl 2-(benzyl{2-[(tert-butoxycarbonyl)amino]ethyl}amino)acetate

N-Benzyl-N-(2-tert-butoxycarbonylamino-ethyl)-oxalamic acid methyl ester

N-(2-tert-butoxycarbonylaminoethyl)aminoacetic acid

tert-butyl 2-(benzyl(2-(4-(benzyloxy)-3-nitrophenyl)hydroxyethyl)amino)ethylcarbamate