1-[(2-Methylpropan-2-yl)oxycarbonyl]-4-naphthalen-2-yloxypyrrolidine-2-carboxylic acid

Base Information

• Chemical Name: 1-[(2-Methylpropan-2-yl)oxycarbonyl]-4-naphthalen-2-yloxypyrrolidine-2-carboxylic acid
• CAS No.: 317357-42-9
• Molecular Formula: C₂₀H₂₃NO₅
• Molecular Weight: 357.406
• Hs Code.: 29339900
• DSSTox Substance ID: DTXSID30405726
• Mol file: 317357-42-9.mol

Synonyms:N-BOC-cis-4-Naphthyloxy-L-proline;1-[(2-methylpropan-2-yl)oxycarbonyl]-4-naphthalen-2-yloxypyrrolidine-2-carboxylic acid;(2S,4R)-Boc-4-(2-naphthyloxy)-pro-oh;AGN-PC-0KKKSX;SCHEMBL6208008;DTXSID30405726

Chemical Property of 1-[(2-Methylpropan-2-yl)oxycarbonyl]-4-naphthalen-2-yloxypyrrolidine-2-carboxylic acid

Chemical Property:

• Boiling Point: 537.4±50.0 °C(Predicted)
• PKA: 3.70±0.40(Predicted)
• PSA: 76.07000
• Density: 1.263±0.06 g/cm3(Predicted)
• LogP: 3.61910
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 357.15762283
• Heavy Atom Count: 26
• Complexity: 529

Purity/Quality:

98%min ^*data from raw suppliers

N-BOC-cis-4-Naphthyloxy-L-proline ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CC(CC1C(=O)O)OC2=CC3=CC=CC=C3C=C2

Technology Process of 1-[(2-Methylpropan-2-yl)oxycarbonyl]-4-naphthalen-2-yloxypyrrolidine-2-carboxylic acid

There total 4 articles about 1-[(2-Methylpropan-2-yl)oxycarbonyl]-4-naphthalen-2-yloxypyrrolidine-2-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: 85.0%

→ 1-(tert-butoxycarbonyl)-(4S)-(2-naphthyloxy)-(2S)-pyrrolidinylcarboxylic acid (317357-42-9)

Guidance literature:

Reference yield:

methyl 1-(tert-butoxycarbonyl)-(4S)-(2-naphthyloxy)-(2S)-pyrrolidinylcarboxylate (317357-41-8) → 1-(tert-butoxycarbonyl)-(4S)-(2-naphthyloxy)-(2S)-pyrrolidinylcarboxylic acid (317357-42-9)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; at 20 ℃; for 12h;

DOI:10.1016/j.bmc.2005.11.058

Reference yield:

1-tert-butyl 2-methyl (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate (74844-91-0) → 1-(tert-butoxycarbonyl)-(4S)-(2-naphthyloxy)-(2S)-pyrrolidinylcarboxylic acid (317357-42-9)

Guidance literature:

Multi-step reaction with 2 steps

1: diisopropyl azodicarboxylate; PPh₃ / tetrahydrofuran / 12 h / 20 °C

2: 4.44 g / aq. NaOH / tetrahydrofuran / 12 h / 20 °C

With sodium hydroxide; di-isopropyl azodicarboxylate; triphenylphosphine; In tetrahydrofuran; 1: Mitsunobu reaction;

DOI:10.1016/j.bmc.2005.11.058

upstream raw materials:

methyl 1-(tert-butoxycarbonyl)-(4S)-(2-naphthyloxy)-(2S)-pyrrolidinylcarboxylate

1-tert-butyl 2-methyl (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate

β-naphthol

Downstream raw materials:

methyl 4-[(4S)-(2-naphthyloxy)-(2S)-pyrrolidinyl]methoxybenzoate

methyl 4-[1-tert-butoxycarbonyl-(4S)-(2-naphthyloxy)-(2S)-pyrrolidinylmethoxy]benzoate

methyl 4-[(2S,4S)-1-[3-methoxy-4-[N'-(2-methylphenyl)ureido]phenylacetyl]-4-(2-naphthyloxy)-2-pyrrolidinyl]methoxybenzoate

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