3-(2-bromophenyl)-3-tert-butoxycarboxycarbonylaminoPropanoic acid

Base Information

• Chemical Name: 3-(2-bromophenyl)-3-tert-butoxycarboxycarbonylaminoPropanoic acid
• CAS No.: 284493-55-6
• Molecular Formula: C₁₄H₁₈BrNO₄
• Molecular Weight: 344.205
• DSSTox Substance ID: DTXSID10703393
• Mol file: 284493-55-6.mol

Synonyms:3-(2-bromophenyl)-3-tert-butoxycarboxycarbonylaminoPropanoic acid;DTXSID10703393;AKOS030242248;2-Bromo-beta-tert-butoxy-N-oxalophenylalanine

Chemical Property of 3-(2-bromophenyl)-3-tert-butoxycarboxycarbonylaminoPropanoic acid

Chemical Property:

• PSA: 112.93000
• LogP: 2.35020
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 387.03175
• Heavy Atom Count: 23
• Complexity: 461

Purity/Quality:

99% ^*data from raw suppliers

3-(2-BROMOPHENYL)-3-[(TERT-BUTOXYCARBONYL)AMINO]PROPANOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(C1=CC=CC=C1Br)C(C(=O)O)NC(=O)C(=O)O

Technology Process of 3-(2-bromophenyl)-3-tert-butoxycarboxycarbonylaminoPropanoic acid

There total 1 articles about 3-(2-bromophenyl)-3-tert-butoxycarboxycarbonylaminoPropanoic 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-3-(2-bromo-phenyl)-propionic acid (117391-48-7,737751-95-0) → 3-(2-bromophenyl)-3-[(tert-butoxycarbonyl)amino]propanoic acid (284493-55-6,500770-75-2,500789-07-1)

Guidance literature:

With water; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; at 20 ℃; for 2h;

Reference yield:

(3S)-3-(2-bromophenyl)-3-{[(tert-butoxy)carbonyl]amino}propanoic acid (284493-55-6,500770-75-2,500789-07-1) + 2,3,4,5-tetrahydro-1,5-benzoxazepine (7160-97-6) → tert-butyl N-[(1S)-1-(2-bromophenyl)-3-oxo-3-(2,3,4,5-tetrahydro-1,5-benzoxazepin-5-yl)propyl]carbamate

Guidance literature:

(3S)-3-(2-bromophenyl)-3-{[(tert-butoxy)carbonyl]amino}propanoic acid; With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In N,N-dimethyl-formamide; at 18 - 25 ℃; for 0.0833333h;

2,3,4,5-tetrahydro-1,5-benzoxazepine; In N,N-dimethyl-formamide; for 18h;

Reference yield:

3-(2-bromophenyl)-3-[(tert-butoxycarbonyl)amino]propanoic acid (284493-55-6,500770-75-2,500789-07-1) + (5-{1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl}thiophen-3-yl)boronic acid → 3-[(tert-butoxycarbonyl)amino]-3-[2-(5-{1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl}thiophen-3-yl)phenyl]propanoic acid

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In 1,4-dioxane; water; at 110 ℃; Inert atmosphere;

upstream raw materials:

di-tert-butyl dicarbonate

3-amino-3-(2-bromo-phenyl)-propionic acid

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