(S)-1-Boc-2-(aminomethyl)pyrrolidine

Base Information

• Chemical Name: (S)-1-Boc-2-(aminomethyl)pyrrolidine
• CAS No.: 119020-01-8
• Molecular Formula: C10H20N2O2
• Molecular Weight: 200.281
• Hs Code.: 29339900
• European Community (EC) Number: 634-257-0
• DSSTox Substance ID: DTXSID60363709
• Nikkaji Number: J2.344.384H
• Wikidata: Q72448285
• Mol file: 119020-01-8.mol

Synonyms:119020-01-8;(S)-1-Boc-2-(aminomethyl)pyrrolidine;(s)-1-n-boc-2-(aminomethyl)pyrrolidine;tert-butyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate;(s)-tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate;(S)-2-(Aminomethyl)-1-Boc-pyrrolidine;(S)-(2-Aminomethyl)-1-N-Boc-pyrrolidine;(S)-2-(Aminomethyl)-1-N-Boc-pyrrolidine;tert-Butyl (S)-2-aminomethylpyrrolidine-1-carboxylate;(s)-2-aminomethyl-1-boc-pyrrolidine;MFCD03419257;SCHEMBL337349;DTXSID60363709;(2S)-2-(Aminomethyl)pyrrolidine;CS-D0666;(S)-2-(Aminomethyl)-1-pyrrolidinecarboxylic Acid tert-Butyl Ester;(2S)-2-AMINOMETHYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;AKOS005259757;AC-2233;DS-10720;AM20080130;(S)-N-BOC-2-(AMINOMETHYL)PYRROLIDINE;(S)-2-(Aminomethyl)-1-Boc-pyrrolidine, 97%;EN300-170385;Q-102858;t-butyl (s)-2-(aminomethyl)pyrrolidine1-carboxylate;(2S)-1-tert-Butoxycarbonylpyrrolidine-2-methaneamine;(S)-2-(Aminomethyl)-1-(tert-butoxycarbonyl)pyrrolidine;tert-Butyl (S)-2-(Aminomethyl)-1-pyrrolidinecarboxylate;(S)-tert-butyl 2-(aminomethyl)pyrrol-idine-1-carboxylate;(2S)-aminomethyl-pyrrolidine-1-carboxylic acid tert-butyl ester;(S)-2-Aminomethylpyrrolidine-1-carboxylic acid tert-butyl ester;(S)-2-aminomethyl pyrrolidine-1-carboxylic acid tert-butyl ester;(S)-2-Aminomethyl-pyrrolidine-1-carboxylic acid tert butyl ester;(s)-2-aminomethyl-pyrrolidine-1-carboxylic acid tert-butyl ester;(S)-2-aminomethyl-pyrrolidine-l-carboxylic acid tert-butyl ester;1,1-dimethylethyl (2S)-2-(aminomethyl)-1-pyrrolidinecarboxylate;TERT-BUTYL (2S)-2-(AMINOMETHYL)-1-PYRROLIDINECARBOXYLATE;(S)-2-(aminomethyl)-1-pyrrolidinecarboxylic acid 1,1-dimethylethyl ester

Chemical Property of (S)-1-Boc-2-(aminomethyl)pyrrolidine

Chemical Property:

• Vapor Pressure: 0.0038mmHg at 25°C
• Refractive Index: 1.486
• Boiling Point: 280.3 °C at 760 mmHg
• PKA: 9.91±0.29(Predicted)
• Flash Point: 123.3 °C
• PSA: 55.56000
• Density: 1.044 g/cm³
• LogP: 1.98280
• Storage Temp.: 2-8°C
• Solubility.: Miscible with N-methylpyrrolidinone.
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 200.152477885
• Heavy Atom Count: 14
• Complexity: 211

Purity/Quality:

99% ^*data from raw suppliers

(S)-1-Boc-2-(aminomethyl)pyrrolidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,N,C
• Statements: 36/37/38-51/53-34-22
• Safety Statements: 26-36/37/39-61-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCCC1CN
• Isomeric SMILES: CC(C)(C)OC(=O)N1CCC[C@H]1CN
• Uses: (S)-2-Aminomethyl-1-Boc-pyrrolidine acts as an intermediate in organic synthesis. It is also used as a chiral and heterocyclic building block in synthetic chemistry.

Technology Process of (S)-1-Boc-2-(aminomethyl)pyrrolidine

There total 15 articles about (S)-1-Boc-2-(aminomethyl)pyrrolidine 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: 100.0%

tert-butyl (2S)-2-(azidomethyl)-1-pyrrolidinecarboxylate (168049-26-1) → (S)-2-(aminomethyl)pyrrolidine-1-carboxylic acid tert-butyl ester (119020-01-8)

Guidance literature:

With hydrogen; palladium on activated charcoal; In tetrahydrofuran; at 20 ℃; for 2h;

DOI:10.1055/s-2005-870026

Reference yield: 95.0%

tert-butyl (S)-2-((1,3-dioxoisoindolin-2-yl)methyl)pyrrolidine-1-carboxylate (281197-55-5) → (S)-2-(aminomethyl)pyrrolidine-1-carboxylic acid tert-butyl ester (119020-01-8)

Guidance literature:

With methylamine; In ethanol; at 70 ℃;

DOI:10.1016/j.tet.2010.10.038

Reference yield: 56.0%

N-(tert-butoxycarbonyl)-L-prolinol (69610-40-8) → (S)-2-(aminomethyl)pyrrolidine-1-carboxylic acid tert-butyl ester (119020-01-8)

Guidance literature:

N-(tert-butoxycarbonyl)-L-prolinol; With di-isopropyl azodicarboxylate; diphenylphosphoranyl azide; triphenylphosphine; In tetrahydrofuran; at 20 ℃; for 20h; Inert atmosphere;

With triphenylphosphine; In tetrahydrofuran; at 75 ℃; for 4h; Inert atmosphere;

DOI:10.3762/bjoc.17.176

upstream raw materials:

tert-butyl (2S)-2-(azidomethyl)-1-pyrrolidinecarboxylate

N-(tert-butoxycarbonyl)-L-prolinol

tert-butyl (2S)-2-{[(methylsulfonyl)oxy]methyl}-pyrrolidine-1-carboxylate

1-(tert-butoxycarbonyl)-L-proline

Downstream raw materials:

(S)-2-[(4-phenylbutyrylamino)methyl]pyrrolidine-1-carboxylic acid tert-butyl ester

(2S)-(benzoylamino-methyl)-pyrrolidine-1-carboxylic acid tert-butyl ester

1,1-dimethylethyl (2S)-2-[({[(phenylmethyl)oxy]carbonyl}amino)methyl]-1-pyrrolidinecarboxylate

tert-butyl (2S)-2-[({2-[(3-chlorophenyl)amino]pyrimidin-4-yl}amino)methyl]pyrrolidine-1-carboxylate