N-Boc-Pyrrolidin-2-(S)-ylboronic acid

Base Information

• Chemical Name: N-Boc-Pyrrolidin-2-(S)-ylboronic acid
• CAS No.: 149716-79-0
• Molecular Formula: C9H18BNO4
• Molecular Weight: 215.057
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID60587842
• Nikkaji Number: J2.511.362D
• Wikidata: Q72450675
• Mol file: 149716-79-0.mol

Synonyms:149716-79-0;N-Boc-Pyrrolidin-2-(S)-ylboronic acid;(S)-(1-(tert-Butoxycarbonyl)pyrrolidin-2-yl)boronic acid;(S)-N-Boc-pyrrolidin-2-ylboronic acid;[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]boronic acid;C9H18BNO4;N-Boc-Pyrrolidin-2-(S)-ylboronicacid;[(2S)-1-[(tert-butoxy)carbonyl]pyrrolidin-2-yl]boronic acid;SCHEMBL7417676;DTXSID60587842;AKOS016842419;AT28691;GS-5780;N-Boc-Pyrrolidin-2-(S)-yl boronic acid;DB-362376;[(2S)-1-Boc-pyrrolidin-2-yl]boronic acid;AM20120629;CS-0079247;A884242;[(2S)-1-(tert-Butoxycarbonyl)pyrrolidin-2-yl]boronic acid;N-(1,1-dimethylethoxycarbonyl)-(pyrrolidin-2-yl)boronic acid;(2S)-1-(TERT-BUTOXYCARBONYL)PYRROLIDIN-2-YLBORONIC ACID;1-Pyrrolidinecarboxylic acid, 2-borono-, 1-(1,1-dimethylethyl) ester, (2S)-

Chemical Property of N-Boc-Pyrrolidin-2-(S)-ylboronic acid

Chemical Property:

• Boiling Point: 349.226 °C at 760 mmHg
• Flash Point: 165.006 °C
• PSA: 70.00000
• Density: 1.15 g/cm³
• LogP: 0.75570
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 215.1328882
• Heavy Atom Count: 15
• Complexity: 239

Purity/Quality:

97% ^*data from raw suppliers

N-Boc-Pyrrolidin-2-(S)-ylboronicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1CCCN1C(=O)OC(C)(C)C)(O)O
• Isomeric SMILES: B([C@H]1CCCN1C(=O)OC(C)(C)C)(O)O

Technology Process of N-Boc-Pyrrolidin-2-(S)-ylboronic acid

There total 5 articles about N-Boc-Pyrrolidin-2-(S)-ylboronic 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: 36.0%

water (7732-18-5) + tert-butyl pyrrolidine-1-carboxylate (86953-79-9) + potassium hydroxide + bis(tetrahydropyrrole)boron bromide (411226-02-3) → ((S)-N-(1,1-dimethylethoxycarbonyl)pyrrolidin-2-yl)boronic acid (149716-79-0,149716-78-9)

Guidance literature:

tert-butyl pyrrolidine-1-carboxylate; With sec.-butyllithium; In 2-methyltetrahydrofuran; cyclohexane; at -70 - -60 ℃; Inert atmosphere;

bis(tetrahydropyrrole)boron bromide; In 2-methyltetrahydrofuran; cyclohexane; Inert atmosphere;

water; potassium hydroxide; Further stages;

Reference yield:

tert-butyl pyrrolidine-1-carboxylate (86953-79-9) → ((S)-N-(1,1-dimethylethoxycarbonyl)pyrrolidin-2-yl)boronic acid (149716-79-0,149716-78-9) + ((R)-N-(1,1-dimethylethoxycarbonyl)pyrrolidin-2-yl)boronic acid (149716-78-9)

Guidance literature:

tert-butyl pyrrolidine-1-carboxylate; With sec.-butyllithium; (-)-sparteine; In diethyl ether; at -78 ℃; for 4h;

With Triisopropyl borate; In diethyl ether; at -78 - 20 ℃; Further stages. Title compound not separated from byproducts.;

DOI:10.1021/jo0708792

Reference yield:

Trimethyl borate (121-43-7,63156-11-6) + tert-butyl pyrrolidine-1-carboxylate (86953-79-9) → ((S)-N-(1,1-dimethylethoxycarbonyl)pyrrolidin-2-yl)boronic acid (149716-79-0,149716-78-9) + ((R)-N-(1,1-dimethylethoxycarbonyl)pyrrolidin-2-yl)boronic acid (149716-78-9)

Guidance literature:

tert-butyl pyrrolidine-1-carboxylate; In tetrahydrofuran;

Trimethyl borate; With n-butyllithium; In tetrahydrofuran;

DOI:10.1021/op025587b

upstream raw materials:

tert-butyl pyrrolidine-1-carboxylate

Trimethyl borate

di-tert-butyl dicarbonate

water

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