(R)-1-(tert-Butoxycarbonyl)-2-(prop-2-yn-1-yl)pyrrolidine-2-carboxylic acid

Base Information

• Chemical Name: (R)-1-(tert-Butoxycarbonyl)-2-(prop-2-yn-1-yl)pyrrolidine-2-carboxylic acid
• CAS No.: 959578-39-3
• Molecular Formula: C₁₃H₁₉NO₄
• Molecular Weight: 253.298
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID10375993
• Nikkaji Number: J3.040.993K
• Wikidata: Q82164727
• Mol file: 959578-39-3.mol

Synonyms:959578-39-3;(R)-1-(tert-Butoxycarbonyl)-2-(prop-2-yn-1-yl)pyrrolidine-2-carboxylic acid;Boc-|A-(2-propynyl)-L-proline;(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-prop-2-ynylpyrrolidine-2-carboxylic acid;DTXSID10375993;(R)-1-(tert-Butoxycarbonyl)-2-(prop-2-yn-1-yl)pyrrolidine-2-carboxylicacid;AKOS015949950;HY-W142055;Boc-alpha-(2-propynyl)-L-proline, 97%;CS-0201840;1-(tert-Butoxycarbonyl)-2-(2-propynyl)-L-proline;1-(tert-Butoxycarbonyl)-2-prop-2-yn-1-yl-L-proline

Chemical Property of (R)-1-(tert-Butoxycarbonyl)-2-(prop-2-yn-1-yl)pyrrolidine-2-carboxylic acid

Chemical Property:

• Melting Point: 113-115℃
• PSA: 66.84000
• LogP: 1.80190
• Storage Temp.: 2-8°C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 253.13140809
• Heavy Atom Count: 18
• Complexity: 401

Purity/Quality:

HPLC>98% ^*data from raw suppliers

Boc-α-(2-propynyl)-L-proline 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCCC1(CC#C)C(=O)O
• Isomeric SMILES: CC(C)(C)OC(=O)N1CCC[C@@]1(CC#C)C(=O)O

Technology Process of (R)-1-(tert-Butoxycarbonyl)-2-(prop-2-yn-1-yl)pyrrolidine-2-carboxylic acid

There total 4 articles about (R)-1-(tert-Butoxycarbonyl)-2-(prop-2-yn-1-yl)pyrrolidine-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:

C14H21NO4 (1349067-59-9) → Boc-α-(2-propynyl)-L-proline (959578-39-3)

Guidance literature:

With water; sodium hydroxide; In methanol; at 50 ℃; for 3h; Inert atmosphere;

DOI:10.1021/ol202769f

Reference yield:

C10H10Cl3NO2 (1003049-46-4) → Boc-α-(2-propynyl)-L-proline (959578-39-3)

Guidance literature:

Multi-step reaction with 3 steps

1: acetyl chloride / 20 h / Reflux; Inert atmosphere

2: N-ethyl-N,N-diisopropylamine / dichloromethane / 72 h / 20 °C / Inert atmosphere

3: water; sodium hydroxide / methanol / 3 h / 50 °C / Inert atmosphere

With water; N-ethyl-N,N-diisopropylamine; acetyl chloride; sodium hydroxide; In methanol; dichloromethane;

DOI:10.1021/ol202769f

Reference yield:

C9H13NO2*HCl → Boc-α-(2-propynyl)-L-proline (959578-39-3)

Guidance literature:

Multi-step reaction with 2 steps

1: N-ethyl-N,N-diisopropylamine / dichloromethane / 72 h / 20 °C / Inert atmosphere

2: water; sodium hydroxide / methanol / 3 h / 50 °C / Inert atmosphere

With water; N-ethyl-N,N-diisopropylamine; sodium hydroxide; In methanol; dichloromethane;

DOI:10.1021/ol202769f

upstream raw materials:

C₁₀H₁₀Cl₃NO₂

C₁₄H₂₁NO₄

(2R,5S)-2-trichloromethyl-1-aza-3-oxabicyclo[3.3.0]octan-4-one

Downstream raw materials:

C₁₉H₂₂N₂O₂S

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