Tert-butyl 3-amino-3-phenylpropanoate

Base Information

• Chemical Name: Tert-butyl 3-amino-3-phenylpropanoate
• CAS No.: 149193-92-0
• Molecular Formula: C13H19NO2
• Molecular Weight: 221.299
• European Community (EC) Number: 837-076-7
• Nikkaji Number: J986.571C
• Mol file: 149193-92-0.mol

Synonyms:tert-butyl 3-amino-3-phenylpropanoate;149193-92-0;SCHEMBL1952090;TYYCBAISLMKLMT-UHFFFAOYSA-N;tert-butyl3-amino-3-phenylpropanoate;AKOS009158190;tert.- butyl 3-phenyl-3-amino-propanoate;CS-0134679;EN300-99444;G23648;3-Amino-3-phenyl-propionic acid tert-butyl ester;TERT-BUTYL(3S)-3-AMINO-3-PHENYLPROPANOATE;5-BROMO-2,4-DIHYDROXYBENZOICACIDMETHYLESTER

Chemical Property of Tert-butyl 3-amino-3-phenylpropanoate

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 221.141578849
• Heavy Atom Count: 16
• Complexity: 227

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)CC(C1=CC=CC=C1)N

Technology Process of Tert-butyl 3-amino-3-phenylpropanoate

There total 11 articles about Tert-butyl 3-amino-3-phenylpropanoate 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: 47.0%

4-phenylazetidin-2-one (5661-55-2) + sodium hydrogencarbonate (144-55-8) → 3-Amino-3-phenyl-propionic acid tert-butyl ester (149193-92-0)

Guidance literature:

With chloro-trimethyl-silane; In ethyl acetate; tert-butyl alcohol;

Reference yield: 45.0%

N-(benzyloxycarbonyl)-DL-3-amino-3-phenylpropionic acid (14440-98-3) + isobutene (115-11-7,15220-85-6) → 3-Amino-3-phenyl-propionic acid tert-butyl ester (149193-92-0)

Guidance literature:

N-(benzyloxycarbonyl)-DL-3-amino-3-phenylpropionic acid; isobutene; sulfuric acid; In dichloromethane; for 12h;

With formic acid; hydrogen; palladium on activated charcoal; In methanol; at 20 ℃; for 0.0833333h;

DOI:10.1002/(SICI)1096-9063(199809)54:1<8::AID-PS793>3.0.CO;2-E

Reference yield: 40.0%

3-butanamido-3-phenylpropanoic acid tert-butyl ester → 3-Amino-3-phenyl-propionic acid tert-butyl ester (149193-92-0)

Guidance literature:

In aq. buffer; at 47 ℃; for 24h; pH=1;

DOI:10.1002/cctc.201501381

upstream raw materials:

(E)-N-benzylidene-1,1,1-trimethylsilanamine

1-tert-butoxy-1-(trimethylsiloxy)ethylene

N-(benzyloxycarbonyl)-DL-3-amino-3-phenylpropionic acid

isobutene

Downstream raw materials:

tert-butyl (R)-3-amino-3-phenylpropionate

(S)-3-amino-3-phenylpropionic acid tert-butyl ester

t-butyl DL-3-{[(1,4-dichloro-7-isoquinolinyl)carbonyl]amino}-3-phenylpropanoate