3-((tert-Butoxycarbonyl)amino)-2-phenylpropanoic acid

Base Information

• Chemical Name: 3-((tert-Butoxycarbonyl)amino)-2-phenylpropanoic acid
• CAS No.: 67098-56-0
• Molecular Formula: C14H19NO4
• Molecular Weight: 265.309
• Hs Code.: 2924299090
• European Community (EC) Number: 804-172-5
• DSSTox Substance ID: DTXSID20373182
• Mol file: 67098-56-0.mol

Synonyms:67098-56-0;3-((tert-Butoxycarbonyl)amino)-2-phenylpropanoic acid;3-tert-Butoxycarbonylamino-2-phenyl-propionic acid;3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoic acid;3-tert-Butoxycarbonylamino-2-phenylpropionic acid;MFCD03003692;boc-(r, s)-3-amino-2-phenylpropionic acid;3-(tert-butoxycarbonylamino)-2-phenylpropanoic acid;N-Boc-3-amino-2-phenyl-propionic acid;3-[(TERT-BUTOXYCARBONYL)AMINO]-2-PHENYLPROPANOIC ACID;MFCD12198212;SCHEMBL118384;3-{[(tert-butoxy)carbonyl]amino}-2-phenylpropanoic acid;DTXSID20373182;PZRXRMWHLUUHFB-UHFFFAOYSA-N;3-(boc-amino)-2-phenylpropanoic acid;3-(Boc-amino)-2-phenylpropionic acid;AKOS012179824;rac 3-Bocamino-2-phenyl-propionic acid;AS-17242;SY116347;(S)-3-(Boc-amino)-2-phenylpropanoic Acid;N-(t-butoxycarbonyl)-2-phenyl-beta-alanine;(r,s)-boc-3-amino-2-phenyl-propionic acid;CS-0186694;FT-0687533;(r,s)-2-phenyl-3-(boc-amino)propanoic acid;EN300-66019;3-tert-butoxycarbonylamino-2-phenyl propionic acid;A917828;3-((t-butoxycarbonyl)amino)-2-phenylpropanoic acid;3- tert -Butoxycarbonylamino-2-phenyl-propionic acid;3-((tert-Butoxycarbonyl)amino)-2-phenylpropanoicacid;(R,S)-Boc-3-amino-2-phenyl-propionic acid, AldrichCPR;Z1033088602;3-({[(1,1-dimethylethyl)oxy]carbonyl}amino)-2-phenylpropanoic acid;Benzeneacetic acid ,a-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-,(S)-;3-(tert-butoxycarbonyl)-2-phenylpropanoic acid

Chemical Property of 3-((tert-Butoxycarbonyl)amino)-2-phenylpropanoic acid

Chemical Property:

• PSA: 75.63000
• LogP: 2.77040
• Storage Temp.: Store at 0-5°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 265.13140809
• Heavy Atom Count: 19
• Complexity: 316

Purity/Quality:

97% ^*data from raw suppliers

3-(Boc-amino)-2-phenylpropanoicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NCC(C1=CC=CC=C1)C(=O)O

Technology Process of 3-((tert-Butoxycarbonyl)amino)-2-phenylpropanoic acid

There total 6 articles about 3-((tert-Butoxycarbonyl)amino)-2-phenylpropanoic acid 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:

di-tert-butyl dicarbonate (24424-99-5) + 3-amino-2-phenyl-propionic acid (4370-95-0,1008-63-5) → DL-N-(t-butoxycarbonyl)-2-phenyl-β-alanine (67098-56-0,181140-88-5,136916-26-2)

Guidance literature:

In tert-butyl alcohol;

Reference yield:

(3-oxo-2-phenylpropyl)carbamic acid tert-butyl ester (127087-63-2) → DL-N-(t-butoxycarbonyl)-2-phenyl-β-alanine (67098-56-0,181140-88-5,136916-26-2)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In tetrahydrofuran; at 0 - 25 ℃; for 24h; Inert atmosphere; Schlenk technique;

DOI:10.1039/d1cc00093d

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) + 3-Amino-3-phenylpropionic acid (3646-50-2) → DL-N-(t-butoxycarbonyl)-2-phenyl-β-alanine (67098-56-0,181140-88-5,136916-26-2)

Guidance literature:

In sodium hydrogencarbonate; ethyl acetate; acetonitrile;

upstream raw materials:

di-tert-butyl dicarbonate

3-Amino-3-phenylpropionic acid

3-amino-2-phenyl-propionic acid

(3-oxo-2-phenylpropyl)carbamic acid tert-butyl ester

Downstream raw materials:

DL-N-(t-butoxycarbonyl)-2-phenyl-β-alanine benzyl ester

1,1-dimethylethyl [3-oxo-2-phenyl-3-({4-[1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-thienyl}amino)propyl]carbamate

1,1-dimethylethyl [3-oxo-2-phenyl-3-({5-[1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-thienyl}amino)propyl]carbamate

C₁₈H₂₁BrN₂O₃S