(S)-tert-Butyl (pyrrolidin-3-ylmethyl)carbamate

Base Information

• Chemical Name: (S)-tert-Butyl (pyrrolidin-3-ylmethyl)carbamate
• CAS No.: 173340-26-6
• Molecular Formula: C10H20N2O2
• Molecular Weight: 200.281
• Hs Code.: 2933990090
• European Community (EC) Number: 882-208-9
• DSSTox Substance ID: DTXSID40364037
• Wikidata: Q72504200
• Mol file: 173340-26-6.mol

Synonyms:173340-26-6;(S)-tert-Butyl (pyrrolidin-3-ylmethyl)carbamate;(s)-3-n-boc-aminomethyl pyrrolidine;(s)-tert-butyl pyrrolidin-3-ylmethylcarbamate;(S)-3-N-Boc-aminomethylpyrrolidine;tert-butyl N-[[(3S)-pyrrolidin-3-yl]methyl]carbamate;(S)-Pyrrolidin-3-ylmethyl-carbamic acid tert-butyl ester;tert-butyl N-[(3S)-pyrrolidin-3-ylmethyl]carbamate;tert-butyl (3S)-pyrrolidin-3-ylmethylcarbamate;(s)-3-boc-aminomethylpyrrolidine;MFCD06796616;CARBAMIC ACID, (3-PYRROLIDINYLMETHYL)-, 1,1-DIMETHYLETHYL ESTER, (S)-;tert-butyl ((S)-pyrrolidin-3-yl)MethylcarbaMate;tert-butyl N-{[(3S)-pyrrolidin-3-yl]methyl}carbamate;Carbamic acid, (3-pyrrolidinylmethyl)-, 1,1-dimethylethyl ester, (S)- (9CI);tert-butyl N-[(3R)-pyrrolidin-3-ylmethyl]carbamate;SCHEMBL718404;SCHEMBL22830512;DTXSID40364037;(s)-3-boc-aminomethyl-pyrrolidine;AKOS005258597;AC-7644;CS-W004177;GS-4504;(S) 3-BOC-AMINOMETHYLPYRROLIDINE;(S)-3-(Boc-aminomethyl pound(c)pyrrolidine;(S)-tert-Butylpyrrolidin-3-ylmethylcarbamate;A3829;AM20090032;(5)-tert-Butyl pyrrolidin-3-ylmethylcarbamate;EN300-88135;tert-Butyl {[(3S)-pyrrolidin-3-yl]methyl}carbamate;1,1-dimethylethyl [(3S)-3-pyrrolidinylmethyl]carbamate;(S)-1-pyrrolidin-3-ylmethyl-carbamic acid tert-butyl ester;Carbamic acid,(3-pyrrolidinylmethyl)-,1,1-dimethylethyl ester,(S)-(9ci);CARBAMIC ACID, N-[(3S)-3-PYRROLIDINYLMETHYL]-, 1,1-DIMETHYLETHYL ESTER

Chemical Property of (S)-tert-Butyl (pyrrolidin-3-ylmethyl)carbamate

Chemical Property:

• Vapor Pressure: 0.000902mmHg at 25°C
• Refractive Index: 1.46
• Boiling Point: 303.932 °C at 760 mmHg
• PKA: 12.71±0.46(Predicted)
• Flash Point: 137.613 °C
• PSA: 50.36000
• Density: 0.998 g/cm³
• LogP: 1.84030
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 200.152477885
• Heavy Atom Count: 14
• Complexity: 199

Purity/Quality:

97% ^*data from raw suppliers

(S)-tert-butylpyrrolidin-3-ylmethylcarbamate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NCC1CCNC1
• Isomeric SMILES: CC(C)(C)OC(=O)NC[C@H]1CCNC1

Technology Process of (S)-tert-Butyl (pyrrolidin-3-ylmethyl)carbamate

There total 1 articles about (S)-tert-Butyl (pyrrolidin-3-ylmethyl)carbamate 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: 76.0%

[1-(1-phenyl-ethyl)-pyrrolidin-3-ylmethyl]-carbamic acid tert-butyl ester (173340-24-4) → (S)-1-pyrrolidin-3-ylmethylcarbamic acid tert-butyl ester (173340-26-6)

Guidance literature:

With hydrogen; palladium on carbon; In methanol; for 24h; under 2585.81 Torr;

Reference yield: 98.0%

(S)-1-pyrrolidin-3-ylmethylcarbamic acid tert-butyl ester (173340-26-6) + 2-(2-phenoxyphenyl)-1,3-thiazole-4-carboxylic acid → tert-butyl N-[[(3R)-1-[2-(2-phenoxyphenyl)-1,3-thiazole-4-carbonyl]pyrrolidin-3-yl]methyl]carbamate

Guidance literature:

With N-ethyl-N,N-diisopropylamine; HATU; In N,N-dimethyl-formamide; at 0 - 25 ℃; for 2h;

Reference yield: 77.0%

(S)-1-pyrrolidin-3-ylmethylcarbamic acid tert-butyl ester (173340-26-6) + 1-([1,1'-biphenyl]-4-ylmethyl)-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid → (S)-1-([1,1'-biphenyl]-4-ylmethyl)-7-(3-(aminomethyl)pyrrolidin-1-yl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Guidance literature:

(S)-1-pyrrolidin-3-ylmethylcarbamic acid tert-butyl ester; 1-([1,1'-biphenyl]-4-ylmethyl)-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid; With N-ethyl-N,N-diisopropylamine; In acetonitrile; at 70 ℃; for 4h;

With hydrogenchloride; In water; acetonitrile; at 25 ℃; for 12h;

DOI:10.1016/j.ejmech.2019.03.040

upstream raw materials:

[1-(1-phenyl-ethyl)-pyrrolidin-3-ylmethyl]-carbamic acid tert-butyl ester

Downstream raw materials:

C₂₆H₃₃BrN₄O

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