Benzyl (2-aminoethyl)(methyl)carbamate hydrochloride

Base Information

• Chemical Name: Benzyl (2-aminoethyl)(methyl)carbamate hydrochloride
• CAS No.: 162576-01-4
• Molecular Formula: C11H17ClN2O2
• Molecular Weight: 244.721
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID50597051
• Mol file: 162576-01-4.mol

Synonyms:162576-01-4;Benzyl (2-aminoethyl)(methyl)carbamate hydrochloride;N-Cbz-N-methylethylenediamine HCl;1-CBZ-1-methyl-ethylenediamine-HCl;benzyl N-(2-aminoethyl)-N-methylcarbamate;hydrochloride;MFCD11112220;benzyl N-(2-aminoethyl)-N-methylcarbamate hydrochloride;Benzyl(2-aminoethyl)(methyl)carbamatehydrochloride;SCHEMBL1880511;DTXSID50597051;1-cbz-1-methyl-ethylenediamine hcl;AKOS015909941;GS-4110;SY101779;N-Cbz-N-Methylethylenediamine hydrochloride;Benzyl (2-aminoethyl)(methyl)carbamate HCl;DB-360140;1-CBZ-1-methyl-ethylenediamine hydrochloride;CS-0151250;A882828;N1-Cbz-N1-methylethane-1,2-diamine Hydrochloride;Benzyl (2-aminoethyl)(methyl)-carbamate hydrochloride;(2-amino-ethyl)-methyl-carbamic acid benzyl ester hydrochloride;Benzyl (2-aminoethyl)methylcarbamate--hydrogen chloride (1/1)

Chemical Property of Benzyl (2-aminoethyl)(methyl)carbamate hydrochloride

Chemical Property:

• PSA: 55.56000
• LogP: 2.71600
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 244.0978555
• Heavy Atom Count: 16
• Complexity: 191

Purity/Quality:

98%min ^*data from raw suppliers

Benzyl (2-aminoethyl)(methyl)-carbamate hydrochloride 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(CCN)C(=O)OCC1=CC=CC=C1.Cl

Technology Process of Benzyl (2-aminoethyl)(methyl)carbamate hydrochloride

There total 1 articles about Benzyl (2-aminoethyl)(methyl)carbamate hydrochloride 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: 89.0%

methyl-[2-(2,2,2-trifluoro-acetylamino)-ethyl]carbamic acid benzyl ester (1221593-52-7) → 2-(aminoethyl)methylcarbamic acid benzyl ester hydrochloride (162576-01-4)

Guidance literature:

methyl-[2-(2,2,2-trifluoro-acetylamino)-ethyl]carbamic acid benzyl ester; With water; lithium hydroxide; In methanol; at 20 ℃; for 3h;

With hydrogenchloride; In diethyl ether; Product distribution / selectivity;

Reference yield: 82.0%

2-(aminoethyl)methylcarbamic acid benzyl ester hydrochloride (162576-01-4) + Fmoc-Lys(tert-butoxycarbonyl) (71989-26-9) → {(S)-1-[2-(benzyloxycarbonyl-methyl-amino)-ethylcarbamoyl]-5-tert-butoxycarbonylamino-pentyl}-carbamic acid 9H-fluoren-9-ylmethyl ester (1221593-54-9)

Guidance literature:

Fmoc-Lys(tert-butoxycarbonyl); With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20 ℃; for 0.25h;

With HATU; In N,N-dimethyl-formamide; at 5 ℃;

2-(aminoethyl)methylcarbamic acid benzyl ester hydrochloride; In N,N-dimethyl-formamide; at 20 ℃; for 2h;

Reference yield: 73.0%

2-(aminoethyl)methylcarbamic acid benzyl ester hydrochloride (162576-01-4) + N-t-butyloxycarbonyl-D-asparagine (7536-55-2,142847-17-4,75647-01-7) → C20H30N4O6

Guidance literature:

With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; benzotriazol-1-ol; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 0 - 25 ℃;

upstream raw materials:

methyl-[2-(2,2,2-trifluoro-acetylamino)-ethyl]carbamic acid benzyl ester

Downstream raw materials:

{(S)-5-amino-5-[2-(benzyloxycarbonyl-methyl-amino)-ethylcarbamoyl]-pentyl}-carbamic acid tert-butyl ester

{(S)-5-acetylamino-5-[2-(benzyloxycarbonyl-methyl-amino)-ethyl carbamoyl]-pentyl}-carbamic acid isopropyl ester

{2-[2-tert-butylmalonyl-Arg(Pbf)]aminoethyl}methylcarbamic acid benzyl ester

{(S)-1-[2-(benzyloxycarbonyl-methyl-amino)-ethylcarbamoyl]-5-tert-butoxycarbonylamino-pentyl}-carbamic acid 9H-fluoren-9-ylmethyl ester

Refernces

• 1、 -. "COMPOSITIONS COMPRISING ENZYME-CLEAVABLE PRODRUGS OF ACTIVE AGENTS AND INHIBITORS THEREOF". Page/Page column 295. . Retrieved 2011/11/06.