3,5-Bis((tert-butoxycarbonyl)amino)benzoic acid

Base Information

• Chemical Name: 3,5-Bis((tert-butoxycarbonyl)amino)benzoic acid
• CAS No.: 133887-83-9
• Molecular Formula: C17H24N2O6
• Molecular Weight: 352.387
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID50363536
• Nikkaji Number: J1.483.160F
• Wikidata: Q82147274
• Mol file: 133887-83-9.mol

Synonyms:133887-83-9;3,5-Bis((tert-butoxycarbonyl)amino)benzoic acid;3,5-Bis-Boc-aminobenzoic acid;3,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]benzoic Acid;Boc2-3,5-DABA-OH;Bis-t-Butyloxycarbonyl-3,5-diaminobenzoic acid;3,5-bis[(tert-butoxycarbonyl)amino]benzoic acid;3,5-Bis(Boc-amino)benzoic acid;Boc-Daba-OH;3,5-BIS-BOC-AMINOBENZOICACID;SCHEMBL6232755;Di-Boc-3,5-diaminobenzoic acid;DTXSID50363536;MFCD00270356;AKOS016001135;AS-76795;CS-0154415;FT-0679798;3,5-di-(tert-butoxycarbonylamino)benzoic acid;3,5-Bis((tert-butoxycarbonyl)amino)benzoicacid;3,5-Bis(tert-butyloxycarbonylamino)benzoic acid;D84163;A888000;J-006446

Chemical Property of 3,5-Bis((tert-butoxycarbonyl)amino)benzoic acid

Chemical Property:

• Vapor Pressure: 8.63E-08mmHg at 25°C
• Refractive Index: 1.578
• Boiling Point: 419.6°Cat760mmHg
• Flash Point: 207.6°C
• PSA: 113.96000
• Density: 1.258g/cm³
• LogP: 4.22480
• Storage Temp.: 2-8°C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 352.16343649
• Heavy Atom Count: 25
• Complexity: 468

Purity/Quality:

97% ^*data from raw suppliers

Di-Boc-3,5-diaminobenzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC1=CC(=CC(=C1)C(=O)O)NC(=O)OC(C)(C)C

Technology Process of 3,5-Bis((tert-butoxycarbonyl)amino)benzoic acid

There total 1 articles about 3,5-Bis((tert-butoxycarbonyl)amino)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%

di-tert-butyl dicarbonate (24424-99-5) + 3.5-diaminobenzoic acid (535-87-5) → 3,5-di-(tert-butyloxycarbonylamino)benzoic acid (133887-83-9)

Guidance literature:

With triethylamine; In methanol;

DOI:10.1039/a803676d

Reference yield: 99.0%

2,3,4,5,6-pentafluorophenol (771-61-9) + 14-amino-3,6,9,12-tetraoxa-1-tetradecanoic acid (195071-49-9,139729-28-5) + 3,5-di-(tert-butyloxycarbonylamino)benzoic acid (133887-83-9) → C27H43N3O11

Guidance literature:

2,3,4,5,6-pentafluorophenol; 3,5-di-(tert-butyloxycarbonylamino)benzoic acid; With dicyclohexyl-carbodiimide; In dichloromethane; at 20 ℃; for 12h;

14-amino-3,6,9,12-tetraoxa-1-tetradecanoic acid; With N-ethyl-N,N-diisopropylamine; In dichloromethane; N,N-dimethyl-formamide; at 20 ℃; for 2h;

Reference yield: 98.0%

allyl bromide (106-95-6) + 3,5-di-(tert-butyloxycarbonylamino)benzoic acid (133887-83-9) → allyl 3,5-bis(tert-butoxycarbonylamino)benzoate (914912-81-5)

Guidance literature:

With sodium hydrogencarbonate; In N,N-dimethyl-formamide; at 20 ℃; for 72h;

DOI:10.1002/ejoc.200600245

upstream raw materials:

di-tert-butyl dicarbonate

3.5-diaminobenzoic acid

Downstream raw materials:

allyl 3,5-bis(tert-butoxycarbonylamino)benzoate

3-phenylpropyl 3,5-di-(tert-butyloxycarbonylamino)benzoate

3,5-bis-tert-butoxycarbonylamino-benzoic acid biphenyl-4-ylmethyl ester

2-(naphthalen-1-yl)ethyl 3,5-di-(tert-butyloxycarbonylamino)benzoate