Boc-homophenylalaninal

Base Information

• Chemical Name: Boc-homophenylalaninal
• CAS No.: 170112-07-9
• Molecular Formula: C15H21NO3
• Molecular Weight: 263.337
• DSSTox Substance ID: DTXSID40437598
• Nikkaji Number: J1.622.221F
• Wikidata: Q82253129
• Pharos Ligand ID: WN48133QTRM7
• ChEMBL ID: CHEMBL92025

Synonyms:Boc-homophenylalaninal;170112-07-9;CHEMBL92025;Carbamic acid, [(1S)-1-formyl-3-phenylpropyl]-, 1,1-dimethylethyl ester;tert-butyl N-[(2S)-1-oxo-4-phenylbutan-2-yl]carbamate;N-BOC-homo phenylalaninal;SCHEMBL3837919;DTXSID40437598;JMHGMBRMIWBUPG-ZDUSSCGKSA-N;Boc-(S)-2-amino-4-phenylbutanal;BDBM50137810;(2S)-2-(tert-Butoxycarbonylamino)-4-phenylbutanal;((S)-1-Formyl-3-phenyl-propyl)-carbamic acid tert-butyl ester

Chemical Property of Boc-homophenylalaninal

Chemical Property:

• PSA: 58.89000
• LogP: 2.91580
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 263.15214353
• Heavy Atom Count: 19
• Complexity: 290

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC(CCC1=CC=CC=C1)C=O
• Isomeric SMILES: CC(C)(C)OC(=O)N[C@@H](CCC1=CC=CC=C1)C=O

Technology Process of Boc-homophenylalaninal

There total 7 articles about Boc-homophenylalaninal 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: 99.0%

→ (S)-tert-butyl (1-oxo-4-phenylbutan-2-yl)carbamate (170112-07-9)

Guidance literature:

Reference yield: 92.0%

(1S-hydroxymethyl-3-phenylpropyl)carbamic acid tert-butyl ester (116611-54-2) → (S)-tert-butyl (1-oxo-4-phenylbutan-2-yl)carbamate (170112-07-9)

Guidance literature:

With sulfur trioxide pyridine complex; dimethyl sulfoxide; triethylamine; In dichloromethane; at -10 ℃;

DOI:10.1016/j.bmcl.2003.09.088

Reference yield: 91.0%

tert-butyl (S)-(1-(methoxy(methyl)amino)-1-oxo-4-phenylbutan-2-yl)-carbamate (183444-03-3) → (S)-tert-butyl (1-oxo-4-phenylbutan-2-yl)carbamate (170112-07-9)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at -20 ℃; for 1h;

DOI:10.1021/acs.jmedchem.1c01494

upstream raw materials:

tert-butyl (S)-(1-(methoxy(methyl)amino)-1-oxo-4-phenylbutan-2-yl)-carbamate

(1S-hydroxymethyl-3-phenylpropyl)carbamic acid tert-butyl ester

Boc-L-homophenylalanine

di-tert-butyl dicarbonate

Downstream raw materials:

(3S,E)-3-(tert-butoxycarbonylamino)-5-phenyl-1-methylsulfonyl-1-pentene

(3S)-N-(1-benzenesulfonyl-5-phenyl-pent-1-en-3-yl)carbamic acid tert-butyl ester

[(E)-(S)-1-Phenethyl-3-(2-phenyl-ethanesulfonyl)-allyl]-carbamic acid tert-butyl ester

(3S,E)-3-(tert-butoxycarbonylamino)-5-phenyl-1-(2-naphthylsulfonyl)-1-pentene

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