3'-((tert-Butoxycarbonyl)amino)-[1,1'-biphenyl]-4-carboxylic acid

Base Information

• Chemical Name: 3'-((tert-Butoxycarbonyl)amino)-[1,1'-biphenyl]-4-carboxylic acid
• CAS No.: 904086-02-8
• Molecular Formula: C18H19 N O4
• Molecular Weight: 313.353
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID00683418
• Wikidata: Q82608373
• Mol file: 904086-02-8.mol

Synonyms:904086-02-8;3'-((tert-Butoxycarbonyl)amino)-[1,1'-biphenyl]-4-carboxylic acid;3'-(Boc-amino)-biphenyl-4-carboxylic acid;4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]benzoic acid;3'-[(TERT-BUTOXYCARBONYL)AMINO]-1,1'-BIPHENYL-4-CARBOXYLIC ACID;3'-tert-ButoxycarbonylaMino-biphenyl-4-carboxylic acid;3'-[(tert-Butoxycarbonyl)amino][1,1'-biphenyl]-4-carboxylic acid;SCHEMBL3510402;DTXSID00683418;AMY20951;4-(3-BOC-Aminophenyl)benzoic acid;3'-((tert-Butoxycarbonyl)amino)-[1,1'-biphenyl]-4-carboxylicacid;MFCD08705806;AKOS005263874;FT-0762781;4-(3-{[(tert-butoxy)carbonyl]amino}phenyl)benzoic acid

Chemical Property of 3'-((tert-Butoxycarbonyl)amino)-[1,1'-biphenyl]-4-carboxylic acid

Chemical Property:

• PSA: 75.63000
• LogP: 4.47180
• Storage Temp.: 2-8°C
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 313.13140809
• Heavy Atom Count: 23
• Complexity: 421

Purity/Quality:

99% ^*data from raw suppliers

3'-[(tert-Butoxycarbonyl)amino][1,1'-biphenyl]-4-carboxylic 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)C2=CC=C(C=C2)C(=O)O

Technology Process of 3'-((tert-Butoxycarbonyl)amino)-[1,1'-biphenyl]-4-carboxylic acid

There total 1 articles about 3'-((tert-Butoxycarbonyl)amino)-[1,1'-biphenyl]-4-carboxylic 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'-aminobiphenyl-4-carboxylic acid (124221-69-8) → 3'-[[(1,1-dimethylethoxy)carbonyl]amino][1,1'-biphenyl]-4-carboxylic acid (904086-02-8)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In methanol; for 5h;

DOI:10.1016/j.bmc.2011.03.016

Reference yield: 88.0%

3'-[[(1,1-dimethylethoxy)carbonyl]amino][1,1'-biphenyl]-4-carboxylic acid (904086-02-8) + methyl (2S)-2-amino-3-phenylpropanoate hydrochloride (7524-50-7) → 3'-[[(1,1-dimethylethoxy)carbonyl]amino]-[1,1'-biphenyl]-4-carbonyl-L-phenylalanine methyl ester (1309100-65-9)

Guidance literature:

With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; for 24h; Inert atmosphere;

DOI:10.1016/j.bmc.2011.03.016

Reference yield:

3'-[[(1,1-dimethylethoxy)carbonyl]amino][1,1'-biphenyl]-4-carboxylic acid (904086-02-8) → 3'-[N-[(1,1-dimethylethoxy)carbonyl]-L-tryptophylamino][1,1'-biphenyl]-4-carbonyl-L-phenylalanine methyl ester (1309100-66-0)

Guidance literature:

Multi-step reaction with 3 steps

1: O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 24 h / Inert atmosphere

2: p-cresol / 1 h / Inert atmosphere

3: O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 24 h / 20 °C

With p-cresol; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide;

DOI:10.1016/j.bmc.2011.03.016

upstream raw materials:

di-tert-butyl dicarbonate

3'-aminobiphenyl-4-carboxylic acid

Downstream raw materials:

3'-(N-acetyl-L-tryptophylamino)(1,1'-biphenyl)-4-carbonyl-L-phenylalanine

3'-[N-[(1,1-dimethylethoxy)carbonyl]-L-tryptophylamino][1,1'-biphenyl]-4-carbonyl-L-phenylalanine methyl ester

3'-[[(1,1-dimethylethoxy)carbonyl]amino]-[1,1'-biphenyl]-4-carbonyl-L-phenylalanine methyl ester