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3-(((tert-Butoxycarbonyl)amino)methyl)benzoic acid

Base Information Edit
  • Chemical Name:3-(((tert-Butoxycarbonyl)amino)methyl)benzoic acid
  • CAS No.:117445-22-4
  • Molecular Formula:C13H17NO4
  • Molecular Weight:251.282
  • Hs Code.:29242990
  • European Community (EC) Number:820-537-1
  • DSSTox Substance ID:DTXSID40373144
  • Wikidata:Q72448186
  • Mol file:117445-22-4.mol
3-(((tert-Butoxycarbonyl)amino)methyl)benzoic acid

Synonyms:117445-22-4;Boc-3-aminomethylbenzoic acid;3-(((tert-Butoxycarbonyl)amino)methyl)benzoic acid;3-(n-boc-aminomethyl)benzoic acid;N-Boc-3-Aminomethyl-benzoic acid;N-Boc-3-Aminomethylbenzoic acid;N-Boc-3-(aminomethyl)benzoic Acid;3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoic Acid;Benzoic acid, 3-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-;3-((tert-butoxycarbonylamino)methyl)benzoic acid;MFCD00273426;3-[(tert-butoxycarbonylamino)methyl]benzoic acid;3-{[(tert-butoxycarbonyl)amino]methyl}benzoic acid;boc-3-amb-oh;3-[[(tert-butoxycarbonyl)amino]methyl]benzoic acid;Boc-Mamb-OH;3-(n-t-butyloxycarbonylaminomethyl)benzoic acid;3-boc-aminomethylbenzoic acid;SCHEMBL184425;DTXSID40373144;3-(boc-aminomethyl)-benzoic acid;MQNHKLMHRZYTBZ-UHFFFAOYSA-N;AKOS009158406;CS-W002599;tert-butyl N-(3-carboxybenzyl)carbamate;AC-24609;DS-13273;SY030510;alpha-(1-t-Butoxyformamido)-m-toluic acid;A2428;FT-0630121;2,3-DIHYDRO-1H-INDEN-5-YLACETICACID;3-(tert-butoxycarbonylaminomethyl)benzoic acid;3-tert-butyloxycarbonylaminomethylbenzoic acid;EN300-172671;3-(tert-butoxycarbonylamino-methyl)-benzoic acid;3-(tert-Butyloxycarbonylamino)methyl benzoic acid;3-(tertbutyloxycarbonylamino)methyl benzoic acid;3-(((tert-Butoxycarbonyl)amino)methyl)benzoicacid;3-((tert-butoxycarbonylamino)-methyl)benzoic acid;3-(N-tert-butoxycarbonyl-aminomethyl)benzoic acid;3-(n-tert-butyloxycarbonylaminomethyl)benzoic acid;3-((N-tert-Butoxycarbonylamino)methyl)benzoic acid;J-523500;3-({[(tert-butoxy)carbonyl]amino}methyl)benzoic acid;3-(Boc-aminomethyl)benzoic acid, >=97.0% (HPLC);Z600504636;3-((tert-butoxycarbonyl)methyl)benzoic acid

Suppliers and Price of 3-(((tert-Butoxycarbonyl)amino)methyl)benzoic acid
Supply Marketing:Edit
Business phase:
The product has achieved commercial mass production*data from LookChem market partment
Manufacturers and distributors:
  • Manufacture/Brand
  • Chemicals and raw materials
  • Packaging
  • price
  • TRC
  • 3-(Boc-aminomethyl)benzoic acid
  • 1g
  • $ 105.00
  • Sigma-Aldrich
  • 3-(Boc-aminomethyl)benzoic acid ≥97.0% (HPLC)
  • 5g
  • $ 811.00
  • Sigma-Aldrich
  • 3-(Boc-aminomethyl)benzoic acid ≥97.0% (HPLC)
  • 1g
  • $ 197.00
  • Oakwood
  • N-Boc-3-Aminomethyl-benzoicacid 99%
  • 1g
  • $ 22.00
  • Medical Isotopes, Inc.
  • 3-(Boc-aminomethyl)benzoic acid
  • 25 g
  • $ 950.00
  • Medical Isotopes, Inc.
  • 3-(Boc-aminomethyl)benzoic acid
  • 1 g
  • $ 350.00
  • Matrix Scientific
  • Boc-Mamb-OH
  • 1g
  • $ 146.00
  • Matrix Scientific
  • Boc-Mamb-OH
  • 5g
  • $ 585.00
  • Crysdot
  • 3-(((tert-Butoxycarbonyl)amino)methyl)benzoicacid 97%
  • 25g
  • $ 458.00
  • ChemScene
  • 3-(((tert-Butoxycarbonyl)amino)methyl)benzoicacid 99.0%
  • 5g
  • $ 86.00
Total 74 raw suppliers
Chemical Property of 3-(((tert-Butoxycarbonyl)amino)methyl)benzoic acid Edit
Chemical Property:
  • Appearance/Colour:white crystal powder 
  • Vapor Pressure:0mmHg at 25°C 
  • Refractive Index:1.556 
  • Boiling Point:434.594 °C at 760 mmHg 
  • PKA:4.21±0.10(Predicted) 
  • Flash Point:216.635 °C 
  • PSA:75.63000 
  • Density:1.179 g/cm3 
  • LogP:2.80040 
  • Storage Temp.:Store at 0°C 
  • XLogP3:1.9
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Rotatable Bond Count:5
  • Exact Mass:251.11575802
  • Heavy Atom Count:18
  • Complexity:309
Purity/Quality:

97%, *data from raw suppliers

3-(Boc-aminomethyl)benzoic acid *data from reagent suppliers

Safty Information:
  • Pictogram(s):  
  • Hazard Codes: 
  • Safety Statements: 24/25 
MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CC(C)(C)OC(=O)NCC1=CC(=CC=C1)C(=O)O
  • Uses 3-(Boc-aminomethyl)benzoic Acid is used to synthesize aminodihydroquinazolines as inhibitors of BACE-1 (β-site APP cleaving enzyme). It is also used to prepare spiro[1H-indene-1,4''-piperidine] derivatives as potent and selective non-peptide human somatostatin receptor subtype 2 (sst2) agonists.
Technology Process of 3-(((tert-Butoxycarbonyl)amino)methyl)benzoic acid

There total 13 articles about 3-(((tert-Butoxycarbonyl)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:
Guidance literature:
With di-tert-butyl dicarbonate; triethylamine; In 1,4-dioxane; water;
Refernces Edit
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