tert-butyl N-(1-benzyl-2-oxoethyl)carbamate

Base Information

• Chemical Name: tert-butyl N-(1-benzyl-2-oxoethyl)carbamate
• CAS No.: 103127-53-3
• Molecular Formula: C14H19NO3
• Molecular Weight: 249.31
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID701216548
• Nikkaji Number: J654.578E
• Mol file: 103127-53-3.mol

Synonyms:103127-53-3;tert-butyl N-(1-benzyl-2-oxoethyl)carbamate;tert-Butyl (1-oxo-3-phenylpropan-2-yl)carbamate;98818-36-1;tert-butyl N-(1-oxo-3-phenylpropan-2-yl)carbamate;TERT-BUTYL (1-BENZYL-2-OXOETHYL)CARBAMATE;N-Boc-phenylalaninal;(1-Formyl-2-phenylethyl)carbamic acid tert-butyl ester;(1-Formyl-2-phenyl-ethyl)-carbamic acid tert-butyl ester;tert-Butyl(1-oxo-3-phenylpropan-2-yl)carbamate;SCHEMBL390555;tert-butyl 1-oxo-3-phenylpropan-2-ylcarbamate(racemic);DTXSID701216548;BCP07614;MFCD03425726;AKOS005069826;AB14688;tert-Butyl 1-benzyl-2-oxoethylcarbamate #;t-butyl-1-oxo-3-phenylpropan-2-ylcarbamate;FT-0641395;FT-0663549;FT-0680140;FT-0688451;FT-0704301;2-(tert-Butoxycarbonylamino)-3-phenylpropanal;D88176;1T-0035;A936635;(R)-(+)-2-(tert-butoxycarbonylamino)-3-phenylprop;2-(tert-butoxycarbonylamino)-3-phenylpropionaldehyde;J-524334;TERT-BUTYLN-(1-BENZYL-2-OXOETHYL)CARBAMATE;Propanal, 2-[(tert.butyloxycarbonyl)amino]-3-phenyl-;1,1-Dimethylethyl N-(1-formyl-2-phenylethyl)carbamate;tert-Butyl N-(1-benzyl-2-oxoethyl)carbamate, AldrichCPR;2-(METHYLTHIO)-FURO[2,3-D]PYRIMIDINE-6-METHANOL

Chemical Property of tert-butyl N-(1-benzyl-2-oxoethyl)carbamate

Chemical Property:

• Melting Point: 68-70°C
• Boiling Point: 367°Cat760mmHg
• Flash Point: 175.8°C
• PSA: 58.89000
• Density: 1.077g/cm³
• LogP: 2.52570
• Storage Temp.: 2-8°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 249.13649347
• Heavy Atom Count: 18
• Complexity: 277

Purity/Quality:

97% ^*data from raw suppliers

tert-ButylN-(1-Benzyl-2-oxoethyl)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)NC(CC1=CC=CC=C1)C=O

Technology Process of tert-butyl N-(1-benzyl-2-oxoethyl)carbamate

There total 12 articles about tert-butyl N-(1-benzyl-2-oxoethyl)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: 94.8%

tert-butyl (1-(methoxy(methyl)amino )-1-oxo-3-phenylpropan-2-yl)carbamate → N-tert-butyloxycarbonyl-2-amino-3-phenylpropionaldehyde (103127-53-3)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 ℃; for 1h; Inert atmosphere;

Reference yield: 21.0%

Boc-L-phenylalaninal (72155-45-4) → N-tert-butyloxycarbonyl-2-amino-3-phenylpropionaldehyde (103127-53-3)

Guidance literature:

In tetrahydrofuran; for 15h; Ambient temperature;

Reference yield:

oxalyl dichloride (79-37-8) + tert-butyl 1-hydroxy-3-phenylpropan-2-ylcarbamate (145149-48-0) + citric acid (77-92-9,906507-37-7) → N-tert-butyloxycarbonyl-2-amino-3-phenylpropionaldehyde (103127-53-3)

Guidance literature:

With triethylamine; In hexane; dichloromethane; dimethyl sulfoxide;

upstream raw materials:

Boc-L-phenylalaninal

oxalyl dichloride

tert-butyl 1-hydroxy-3-phenylpropan-2-ylcarbamate

citric acid

Downstream raw materials:

((Z)-1-Benzyl-5-trimethylsilanyl-pent-2-en-4-ynyl)-carbamic acid tert-butyl ester

((E)-1-Benzyl-5-trimethylsilanyl-pent-2-en-4-ynyl)-carbamic acid tert-butyl ester

[1-Benzyl-2-(2,5-dihydroxy-phenyl)-ethyl]-carbamic acid tert-butyl ester