4-(((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)methyl)benzoic acid

Base Information

• Chemical Name: 4-(((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)methyl)benzoic acid
• CAS No.: 164470-64-8
• Molecular Formula: C23H19NO4
• Molecular Weight: 373.408
• Hs Code.: 29242990
• European Community (EC) Number: 846-277-9
• DSSTox Substance ID: DTXSID60373227
• Nikkaji Number: J1.607.324E
• Wikidata: Q82161393
• Mol file: 164470-64-8.mol

Synonyms:164470-64-8;Fmoc-4-Amb-OH;4-(((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)methyl)benzoic acid;4-(Fmoc-aminomethyl)benzoic acid;4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoic Acid;Fmoc-4-Amb-OH Fmoc-(4-aminomethyl) benzoic acid;4-[({[(9H-FLUOREN-9-YL)METHOXY]CARBONYL}AMINO)METHYL]BENZOIC ACID;Fmoc-Pamb-OH;4-(FMOC-AMINOMETHYL)BENZOICACID;Fmoc-(4)Ambz-OH;SCHEMBL118108;DTXSID60373227;4-({[(9H-fluoren-9-ylmethoxy)carbonyl]amino}methyl)benzoic acid;4-[(Fmoc-amino)methyl]benzoic acid;4-(N-fmoc-aminomethyl)-benzoic acid;Benzoic acid, 4-[[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]methyl]-;MFCD01074693;AKOS012614336;DS-15339;CS-0135743;F0925;FT-0679805;4-(Fmoc-aminomethyl)benzoic acid, >=98.0%;EN300-624066;I11519;A882449;4-(9-Fluorenylmethyloxycarbonylaminomethyl)benzoic acid;Z1123720009;4-(9H-Fluorene-9-ylmethoxycarbonylaminomethyl)benzoic acid;4-[(9H-Fluoren-9-ylmethoxycarbonylamino)-methyl]-benzoic acid;4-[[(9H-Fluoren-9-ylmethoxy)carbonyl]aminomethyl]benzoic Acid;4-((((9h-fluoren-9-yl)methoxy)carbonylamino)methyl)benzoic acid

Chemical Property of 4-(((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)methyl)benzoic acid

Chemical Property:

• Melting Point: 224-228 °C
• Boiling Point: 625.374 °C at 760 mmHg
• PKA: 4.24±0.10(Predicted)
• Flash Point: 332.014 °C
• Density: 1.297 g/cm³
• Storage Temp.: 2-8°C
• Water Solubility.: Slightly soluble in water.
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 373.13140809
• Heavy Atom Count: 28
• Complexity: 535

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-(Fmoc-aminomethyl)benzoic acid ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCC4=CC=C(C=C4)C(=O)O
• Uses: 4-(Fmoc-aminomethyl)benzoic acid is used as pharmaceutical intermediates.

Technology Process of 4-(((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)methyl)benzoic acid

There total 5 articles about 4-(((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)methyl)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: 100.0%

p-aminomethylbenzoic acid (56-91-7) + (fluorenylmethoxy)carbonyl chloride (28920-43-6) → N-(9-fluorenylmethyloxycarbonyl)-4-(aminomethyl)benzoic acid (164470-64-8)

Guidance literature:

With sodium carbonate; In 1,4-dioxane; water;

DOI:10.1021/jo200497j

Reference yield: 99.0%

p-aminomethylbenzoic acid (56-91-7) + N-(9H-fluoren-2-ylmethoxycarbonyloxy)succinimide (82911-69-1) → N-(9-fluorenylmethyloxycarbonyl)-4-(aminomethyl)benzoic acid (164470-64-8)

Guidance literature:

With sodium carbonate; In 1,4-dioxane; at 40 ℃; for 12h;

DOI:10.1021/ol016915f

Reference yield: 90.0%

p-aminomethylbenzoic acid (56-91-7) + Fmoc-Pro-OH (71989-31-6) → N-(9-fluorenylmethyloxycarbonyl)-4-(aminomethyl)benzoic acid (164470-64-8)

Guidance literature:

With sodium hydrogencarbonate; In 1,4-dioxane; at 20 ℃; for 2h;

DOI:10.1021/ja035334d

upstream raw materials:

p-aminomethylbenzoic acid

N-(9H-fluoren-2-ylmethoxycarbonyloxy)succinimide

(fluorenylmethoxy)carbonyl chloride

Fmoc-Pro-OH

Downstream raw materials:

p-guanidinomethyl benzoic acid

{2-[2-(2-{4-[(9H-fluoren-9-ylmethoxycarbonylamino)-methyl]-benzoylamino}-ethoxy)-ethoxy]-ethyl}-carbamic acid tert-butyl ester

Refernces

• 1、 Lior, Yotam,Shtriker, Efrat,Kahremany, Shirin,Lewis, Eli C.,Gruzman, Arie. "Development of anti-inflammatory peptidomimetics based on the structure of human alpha1-antitrypsin". supporting information. . Retrieved 2021/11/16.
• 2、 Gottscheber, Nicole,Hacker, Christina N.,Klein, Christian D.,Dra?i?, Tonko,Kühl, Nikos. "The spectrum between substrates and inhibitors: Pinpointing the binding mode of dengue protease ligands with modulated basicity and hydrophobicity". supporting information. . Retrieved 2021/10/02.