(3S)-3-[(tert-Butoxycarbonyl)amino]-4-(cyclopentyloxy)-4-oxobutanoic acid (non-preferred name)

Base Information

• Chemical Name: (3S)-3-[(tert-Butoxycarbonyl)amino]-4-(cyclopentyloxy)-4-oxobutanoic acid (non-preferred name)
• CAS No.: 71447-58-0
• Molecular Formula: C14H23 N O6
• Molecular Weight: 301.34
• DSSTox Substance ID: DTXSID30703537
• Wikidata: Q82635717
• Mol file: 71447-58-0.mol

Synonyms:DTXSID30703537;AKOS030240827;(3S)-3-[(tert-Butoxycarbonyl)amino]-4-(cyclopentyloxy)-4-oxobutanoic acid (non-preferred name)

Chemical Property of (3S)-3-[(tert-Butoxycarbonyl)amino]-4-(cyclopentyloxy)-4-oxobutanoic acid (non-preferred name)

Chemical Property:

• PSA: 101.93000
• LogP: 2.23110
• Storage Temp.: Store at RT.
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 301.15253745
• Heavy Atom Count: 21
• Complexity: 395

Purity/Quality:

98%Min ^*data from raw suppliers

Boc-Asp(ocpent)-OH ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC(CC(=O)O)C(=O)OC1CCCC1
• Isomeric SMILES: CC(C)(C)OC(=O)N[C@@H](CC(=O)O)C(=O)OC1CCCC1

Technology Process of (3S)-3-[(tert-Butoxycarbonyl)amino]-4-(cyclopentyloxy)-4-oxobutanoic acid (non-preferred name)

There total 4 articles about (3S)-3-[(tert-Butoxycarbonyl)amino]-4-(cyclopentyloxy)-4-oxobutanoic acid (non-preferred name) 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%

N-(tert-butoxycarbonyl)-ω-cyclopentyl-L-aspartic acid α-benzyl ester (219623-87-7) → N-(tert-butoxycarbonyl)-ω-cyclopentyl-L-aspartic acid (71447-58-0)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethyl acetate; for 13h;

DOI:10.1016/S0968-0896(02)00558-8

Reference yield:

Cyclopentanol (96-41-3) → N-(tert-butoxycarbonyl)-ω-cyclopentyl-L-aspartic acid (71447-58-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 4.2 g / DMAP; EDC-HCl / CH₂Cl₂ / 2 h / 20 °C

2: 99 percent / H₂ / Pd/C / ethyl acetate / 13 h

With dmap; hydrogen; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; palladium on activated charcoal; In dichloromethane; ethyl acetate;

DOI:10.1016/S0968-0896(02)00558-8

Reference yield:

2-tert-butoxycarbonylamino-succinic acid 1-benzyl ester (30925-18-9) → N-(tert-butoxycarbonyl)-ω-cyclopentyl-L-aspartic acid (71447-58-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 4.2 g / DMAP; EDC-HCl / CH₂Cl₂ / 2 h / 20 °C

2: 99 percent / H₂ / Pd/C / ethyl acetate / 13 h

With dmap; hydrogen; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; palladium on activated charcoal; In dichloromethane; ethyl acetate;

DOI:10.1016/S0968-0896(02)00558-8

upstream raw materials:

N-(tert-butoxycarbonyl)-ω-cyclopentyl-L-aspartic acid α-benzyl ester

Cyclopentanol

2-tert-butoxycarbonylamino-succinic acid 1-benzyl ester

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