4-(2-((tert-Butoxycarbonyl)amino)ethyl)benzoic acid

Base Information

• Chemical Name: 4-(2-((tert-Butoxycarbonyl)amino)ethyl)benzoic acid
• CAS No.: 132690-91-6
• Molecular Formula: C14H19NO4
• Molecular Weight: 265.309
• European Community (EC) Number: 808-806-1
• Mol file: 132690-91-6.mol

Synonyms:132690-91-6;4-(2-((tert-Butoxycarbonyl)amino)ethyl)benzoic acid;4-(2-Boc-aminoethyl)benzoic acid;4-(2-Boc-aminoethyl)benzoicacid;4-(2-{[(tert-Butoxy)carbonyl]amino}ethyl)-benzoic acid;4-(2-tert-Butoxycarbonylaminoethyl)benzoic acid;4-({2-Boc-amino}ethyl)benzoic acid;4-{2-[(tert-butoxycarbonyl)amino]ethyl}benzoic acid;4-(2-{[(tert-butoxy)carbonyl]amino}ethyl)benzoic acid;MFCD07371516;4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]benzoic acid;Benzoic acid, 4-[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]-;4-(2-(tert-butoxycarbonylamino)ethyl)benzoic acid;4-[2-(tert-Butoxycarbonylamino)ethyl]benzoic acid;4-[2-(Boc-amino)ethyl]benzoic Acid;SCHEMBL379892;N-Boc-4-aminoethylbenzoic Acid;IIHASBWHDACFGZ-UHFFFAOYSA-N;AKOS005068033;CS-W019934;MCULE-2818008259;SS-4094;SY046141;4-(2-t-butoxycarbonylaminoethyl)benzoic acid;AM20050393;EN300-79015;4-(2-Boc-aminoethyl)benzoic acid, AldrichCPR;4-(tert-butoxycarbonylamino-ethyl)-benzoic acid;4-(2-Tert-butoxycarbonylamino-ethyl)-benzoic acid;4-(2-((tert-Butoxycarbonyl)amino)ethyl)benzoicacid;4-(N-tert-butoxycarbonyl -2-aminoethyl)benzoic acid;4-(N-tert-butoxycarbonyl-2-aminoethyl)benzoic acid;J-513237;Z445200912

Chemical Property of 4-(2-((tert-Butoxycarbonyl)amino)ethyl)benzoic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.533
• Boiling Point: 440.547 °C at 760 mmHg
• PKA: 4.31±0.10(Predicted)
• Flash Point: 220.235 °C
• PSA: 75.63000
• Density: 1.155 g/cm³
• LogP: 2.84290
• Storage Temp.: 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 265.13140809
• Heavy Atom Count: 19
• Complexity: 314

Purity/Quality:

97% ^*data from raw suppliers

4-(2-((tert-Butoxycarbonyl)amino)ethyl)benzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NCCC1=CC=C(C=C1)C(=O)O

Technology Process of 4-(2-((tert-Butoxycarbonyl)amino)ethyl)benzoic acid

There total 9 articles about 4-(2-((tert-Butoxycarbonyl)amino)ethyl)benzoic 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: 96.0%

methyl 4-[2-(tert-butoxycarbonylamino)ethyl]benzoate (177736-04-8) → 4-[2-(tert-butyloxycarbonylamino)ethyl]benzoic acid (132690-91-6)

Guidance literature:

With water; sodium hydroxide; In tetrahydrofuran; at 50 ℃;

Reference yield: 95.0%

di-tert-butyl dicarbonate (24424-99-5) + 4-(2-amino-ethyl)-benzoic acid hydrochloride (60531-36-4) → 4-[2-(tert-butyloxycarbonylamino)ethyl]benzoic acid (132690-91-6)

Guidance literature:

di-tert-butyl dicarbonate; 4-(2-amino-ethyl)-benzoic acid hydrochloride; With sodium hydroxide; In water; tert-butyl alcohol; at 20 ℃; for 16h;

With hydrogenchloride; In water; pH=2;

Reference yield: 86.0%

→ 4-[2-(tert-butyloxycarbonylamino)ethyl]benzoic acid (132690-91-6)

Guidance literature:

upstream raw materials:

di-tert-butyl dicarbonate

4-(2-aminoethyl)benzoic acid

t-butyl 2-(4-bromophenyl)ethylcarbamate

methyl 4-[2-(tert-butoxycarbonylamino)ethyl]benzoate

Downstream raw materials:

{2-[4-(piperidine-1-carbonyl)-phenyl]-ethyl}-carbamic acid tert-butyl ester

tert-butyl N-[2-[4-(dimethylcarbamoyl)phenyl]ethyl]carbamate

[2-(4-diethylcarbamoyl-phenyl)-ethyl]-carbamic acid tert-butyl ester

2-(4-dimethylaminomethyl-phenyl)-ethylamine