Benzyl (1-amino-2-methyl-1-oxopropan-2-yl)carbamate

Base Information

• Chemical Name: Benzyl (1-amino-2-methyl-1-oxopropan-2-yl)carbamate
• CAS No.: 81587-18-0
• Molecular Formula: C12H16N2O3
• Molecular Weight: 236.271
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID801196276
• Mol file: 81587-18-0.mol

Synonyms:81587-18-0;Benzyl (1-amino-2-methyl-1-oxopropan-2-yl)carbamate;2-(Cbz-amino)-2-methylpropanamide;benzyl N-(1-amino-2-methyl-1-oxopropan-2-yl)carbamate;2-benzyloxycarbonylamino-2-methylpropionamide;MFCD25967457;BENZYL N-(1-CARBAMOYL-1-METHYLETHYL)CARBAMATE;SCHEMBL2268248;PIIYOXFGVHEMGI-UHFFFAOYSA-N;DTXSID801196276;AKOS022189086;AS-66565;SY028362;DB-108480;I11644;EN300-4605088;A1-42176;Benzyl(1-amino-2-methyl-1-oxopropan-2-yl)carbamate;Benzyl (1-amino-2-methyl-1-thioxopropan-2-yl)carbamate;benzyl N-(2-amino-1,1-dimethyl-2-oxo-ethyl)carbamate;Phenylmethyl N-(2-amino-1,1-dimethyl-2-oxoethyl)carbamate

Chemical Property of Benzyl (1-amino-2-methyl-1-oxopropan-2-yl)carbamate

Chemical Property:

• PSA: 85.90000
• LogP: 2.53080
• Storage Temp.: 2-8°C
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 236.11609238
• Heavy Atom Count: 17
• Complexity: 284

Purity/Quality:

97% ^*data from raw suppliers

2-(Cbz-amino)-2-methylpropanamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C(=O)N)NC(=O)OCC1=CC=CC=C1

Technology Process of Benzyl (1-amino-2-methyl-1-oxopropan-2-yl)carbamate

There total 2 articles about Benzyl (1-amino-2-methyl-1-oxopropan-2-yl)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: 67.0%

Z-Aib-OH (15030-72-5) → benzyl N-(2-amino-1,1-dimethyl-2-oxo-ethyl)carbamate (81587-18-0)

Guidance literature:

With pyridine; ammonium carbonate; di-tert-butyl dicarbonate; In acetonitrile; at 10 - 20 ℃;

Reference yield:

(cyano-dimethyl-methyl)carbamic acid benzyl ester (100134-82-5) → benzyl N-(2-amino-1,1-dimethyl-2-oxo-ethyl)carbamate (81587-18-0)

Guidance literature:

With lithium hydroxide monohydrate; dihydrogen peroxide; In methanol; water; at 20 ℃; for 0.5h;

Reference yield: 95.0%

benzyl N-(2-amino-1,1-dimethyl-2-oxo-ethyl)carbamate (81587-18-0) → (cyano-dimethyl-methyl)carbamic acid benzyl ester (100134-82-5)

Guidance literature:

With triethylamine; trifluoroacetic anhydride; In dichloromethane; at 0 - 20 ℃; for 10h; Inert atmosphere;

DOI:10.1016/j.ejmech.2012.02.015

upstream raw materials:

Z-Aib-OH

(cyano-dimethyl-methyl)carbamic acid benzyl ester

Downstream raw materials:

5,5-dimethyl-imidazolidine-2,4-dione

2-amino-2-methylpropanamide

benzyl N-(2-amino-1,1-dimethyl-2-thioxo-ethyl)carbamate

[1-(N'-hydroxycarbamimidoyl)-1-methyl-ethyl]carbamic acid benzyl ester