4-(2-(((Benzyloxy)carbonyl)amino)ethyl)benzoic acid

Base Information

• Chemical Name: 4-(2-(((Benzyloxy)carbonyl)amino)ethyl)benzoic acid
• CAS No.: 121632-81-3
• Molecular Formula: C17H17 N O4
• Molecular Weight: 299.326
• European Community (EC) Number: 808-808-2
• Mol file: 121632-81-3.mol

Synonyms:121632-81-3;4-(2-Cbz-aminoethyl)benzoic acid;4-(2-(((Benzyloxy)carbonyl)amino)ethyl)benzoic acid;4-[2-(phenylmethoxycarbonylamino)ethyl]benzoic acid;4-(2-{[(benzyloxy)carbonyl]amino}ethyl)benzoic acid;BMIPQGLSIWHHQW-UHFFFAOYSA-N;SCHEMBL2851561;WEA63281;MFCD07371515;AKOS009090786;DA-21625;CS-0344979;4-(2-Cbz-aminoethyl)benzoic acid, AldrichCPR;EN300-121148;4-(2-(benzyloxycarbonylamino)ethyl)benzoic acid;4-(2-(((Benzyloxy)carbonyl)amino)ethyl)benzoicacid

Chemical Property of 4-(2-(((Benzyloxy)carbonyl)amino)ethyl)benzoic acid

Chemical Property:

• Vapor Pressure: 6.78E-12mmHg at 25°C
• Refractive Index: 1.595
• Boiling Point: 526.1°C at 760 mmHg
• Flash Point: 272°C
• PSA: 75.63000
• Density: 1.243g/cm³
• LogP: 3.24460
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 299.11575802
• Heavy Atom Count: 22
• Complexity: 358

Purity/Quality:

97% ^*data from raw suppliers

4-(2-Cbz-aminoethyl)benzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC(=O)NCCC2=CC=C(C=C2)C(=O)O

Technology Process of 4-(2-(((Benzyloxy)carbonyl)amino)ethyl)benzoic acid

There total 2 articles about 4-(2-(((Benzyloxy)carbonyl)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: 94.0%

benzyl chloroformate (501-53-1,94274-21-2) + 4-(2-amino-ethyl)-benzoic acid hydrochloride (60531-36-4) → 4-(2-{[(benzyloxy)carbonyl]amino}ethyl)benzoic acid (121632-81-3)

Guidance literature:

benzyl chloroformate; 4-(2-amino-ethyl)-benzoic acid hydrochloride; With sodium hydroxide; In water; at 25 ℃; for 18h;

With hydrogenchloride; In water; at 0 ℃; for 3h;

Reference yield:

→ 4-(2-aminoethyl)benzoic acid (1199-69-5) + 4-(2-{[(benzyloxy)carbonyl]amino}ethyl)benzoic acid (121632-81-3)

Guidance literature:

Reference yield: 67.9%

1-bromo-6-hexanol (4286-55-9) + 4-(2-{[(benzyloxy)carbonyl]amino}ethyl)benzoic acid (121632-81-3) → 6-bromohexyl 4-(2-(((benzyloxy)carbonyl)amino)ethyl)benzoate

Guidance literature:

With di-isopropyl azodicarboxylate; triphenylphosphine; In tetrahydrofuran;

DOI:10.3390/molecules25204618

upstream raw materials:

benzyl chloroformate

4-(2-amino-ethyl)-benzoic acid hydrochloride

Downstream raw materials:

C₁₃H₁₈N₂O₃

C₂₇H₃₂F₃N₃O₇

C₂₂H₂₄F₃N₃O₅

C₂₀H₂₉N₃O₆

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