3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoic Acid

Base Information

• Chemical Name: 3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoic Acid
• CAS No.: 149506-04-7
• Molecular Formula: C14H19 N O4
• Molecular Weight: 265.309
• Hs Code.: 2933990090
• European Community (EC) Number: 814-516-6
• DSSTox Substance ID: DTXSID20375444
• Wikidata: Q82163980
• Mol file: 149506-04-7.mol

Synonyms:149506-04-7;387360-95-4;3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoic Acid;3-(3-[(tert-butoxycarbonyl)amino]phenyl)propanoic acid;3-(3-((tert-Butoxycarbonyl)amino)phenyl)propanoic acid;3-{3-[(tert-Butoxycarbonyl)amino]phenyl}propanoic acid;3-{3-[(TERT-BUTOXYCARBONYL)AMINO]PHENYL}PROPANOICACID;Benzenepropanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-;3-(3-{[(tert-butoxy)carbonyl]amino}phenyl)propanoic acid;BENZENEPROPANOIC ACID,3-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-;3-(3-((tert-Butoxycarbonyl)amino)phenyl)propanoicacid;3-(3-(tert-butoxycarbonylamino)phenyl)propanoic acid;3-[3-(tert-butoxycarbonylamino)phenyl]propanoic acid;3-{3-[(tert-Butoxycarbonyl)amino]phenyl}-propanoic acid;3-(3-aminophenyl)propanoic acid, n-boc protected;SCHEMBL306849;DTXSID20375444;3-(Boc-amino)benzenepropanoic acid;ZFA50604;MFCD04037903;AKOS015838173;PS-5975;CS-0207195;FT-0676546;FT-0676944;EN300-115464;F79153;3-(3-Aminophenyl)propanoic acid,N-BOC protected;A824263;3-(3-tert-butoxycarbonylamino-phenyl)-propionic acid;3-(3-[(tert-Butoxycarbonyl)amino]phenyl)propanoic acid, AldrichCPR;3-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]propanoic acid

Chemical Property of 3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoic Acid

Chemical Property:

• Melting Point: 164-166
• PSA: 75.63000
• LogP: 3.12380
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 265.13140809
• Heavy Atom Count: 19
• Complexity: 322

Purity/Quality:

97% ^*data from raw suppliers

3-{3-[(tert-Butoxycarbonyl)amino]phenyl}propanoicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Irritant:

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoic Acid

There total 2 articles about 3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoic 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: 99.0%

di-tert-butyl dicarbonate (24424-99-5) + 3-(3-aminophenyl)propionic acid (1664-54-6) → 3-(3-((tert-butoxycarbonyl)amino)phenyl)propanoic acid (149506-04-7)

Guidance literature:

With triethylamine; In 1,4-dioxane; water; at 20 ℃; for 18h;

Reference yield:

→ 3-(3-((tert-butoxycarbonyl)amino)phenyl)propanoic acid (149506-04-7)

Guidance literature:

Reference yield: 98.0%

3-(3-((tert-butoxycarbonyl)amino)phenyl)propanoic acid (149506-04-7) + 4-methoxy-benzylamine (2393-23-9) → tert-butyl 3-(2-(4-methoxybenzylcarbamoyl)ethyl)phenyl carbamate

Guidance literature:

3-(3-((tert-butoxycarbonyl)amino)phenyl)propanoic acid; With N-ethyl-N,N-diisopropylamine; 1,1'-carbonyldiimidazole; In N,N-dimethyl-formamide; at 20 ℃; for 1.5h; Inert atmosphere;

4-methoxy-benzylamine; In N,N-dimethyl-formamide; at 20 ℃; for 18h; Inert atmosphere;

DOI:10.1039/d0md00074d

upstream raw materials:

di-tert-butyl dicarbonate

3-(3-aminophenyl)propionic acid

Downstream raw materials:

{3-[2-(3,4-dimethoxy-phenylcarbamoyl)-ethyl]-phenyl}-carbamic acid tert-butyl ester

C₂₂H₂₆N₄O₃

C₂₆H₂₂N₄O₂