1-Boc-3-aminopyrrolidine

Base Information

• Chemical Name: 1-Boc-3-aminopyrrolidine
• CAS No.: 186550-13-0
• Molecular Formula: C9H18N2O2
• Molecular Weight: 186.254
• Hs Code.: 29339900
• European Community (EC) Number: 624-257-9
• DSSTox Substance ID: DTXSID60373343
• Nikkaji Number: J2.137.632I
• Mol file: 186550-13-0.mol

Synonyms:1-Boc-3-aminopyrrolidine;186550-13-0;Tert-butyl 3-aminopyrrolidine-1-carboxylate;3-amino-1-boc-pyrrolidine;(+/-)-3-amino-1-n-boc-pyrrolidine;MFCD01861220;3-amino-pyrrolidine-1-carboxylic acid tert-butyl ester;3-Amino-1-N-Boc-pyrrolidine;1-Pyrrolidinecarboxylic acid, 3-amino-, 1,1-dimethylethyl ester;N-Boc-3-aminopyrrolidine;(S)-N-Boc-3-aminopyrrolidine;(3S)-(-)-3-Amino-1-Boc-pyrrolidine;1-BocAP;3-amino-Boc-pyrrolidine;3-Amino-1-(tert-butoxycarbonyl)pyrrolidine;N-Boc-3-amino pyrrolidine;SCHEMBL8785;rac-3-amino-1-Boc-pyrrolidine;DTXSID60373343;1-Boc-3-aminopyrrolidine, 95%;CMIBWIAICVBURI-UHFFFAOYSA-N;DL-3-Amino-1-N-Boc-Pyrrolidine;BCP05293;BCP25550;CS-D0662;STL110022;(+/-)-3-amino-1N-BOC-pyrrolidine;AKOS005146135;AC-2224;PB10255;PB10260;PS-5203;SB10131;3-amino-1-tert-butoxycarbonylpyrrolidine;t-butyl 3-aminopyrrolidine-1-carboxylate;BP-10573;SY006413;SY007815;SY013968;1-(tert-Butoxyarbonyl)-3-aminopyrrolidine;1-(tert-butoxycarbonyl)-3-aminopyrrolidine;tert-butyl 3-amino-1-pyrrolidinecarboxylate;1-(tert-butyloxycarbonyl)-3-aminopyrrolidine;1-tertiary butoxycarbonyl-3-aminopyrrolidine;3-amino-1-(tert-butoxy-carbonyl)pyrrolidine;3-amino-1-tertiary butoxycarbonylpyrrolidine;A4126;AM20080360;B3890;FT-0601686;FT-0601692;FT-0601693;EN300-48597;tert. Butyl 3-amino-pyrrolidine-1-carboxylate;A66007;(3RS)-3-Amino-1-tert-butoxycarbonylpyrrolidine;1,1-dimethylethyl 3-amino-1-pyrrolidinecarboxylate;Q-102154;racemic tert-butyl 3-aminopyrrolidine-1-carboxylate;3-Amino-1-pyrrolidinecarboxylic acid tert-butyl ester;Z255150718;racemic 3-amino-pyrrolidine-carboxylic acid tert-butyl ester;3-amino-1-pyrrolidinecarboxylic acid, 1,1-dimethylethyl ester

Chemical Property of 1-Boc-3-aminopyrrolidine

Chemical Property:

• Appearance/Colour: white solid
• Vapor Pressure: 0.0146mmHg at 25°C
• Refractive Index: 1.4710
• Boiling Point: 257.4 °C at 760 mmHg
• PKA: 9.55±0.20(Predicted)
• Flash Point: 109.5 °C
• PSA: 55.56000
• Density: 1.067 g/cm³
• LogP: 1.59270
• Storage Temp.: 2-8°C
• Sensitive.: Air Sensitive
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 186.136827821
• Heavy Atom Count: 13
• Complexity: 198

Purity/Quality:

99% ^*data from raw suppliers

1-Boc-3-aminopyrrolidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,Xi
• Hazard Codes: C,Xi,Xn
• Statements: 36/37/38-44-41-22
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCC(C1)N

Technology Process of 1-Boc-3-aminopyrrolidine

There total 15 articles about 1-Boc-3-aminopyrrolidine 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 3-(benzylamino)pyrrolidine-1-carboxylate (862906-31-8) → 3-amino-1-(t-butoxycarbonyl)pyrrolidine (186550-13-0)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In ethanol; at 20 ℃; under 760.051 Torr;

Reference yield: 98.0%

di-tert-butyl dicarbonate (24424-99-5) + pyrrolidin-3-amine (79286-79-6) → 3-amino-1-(t-butoxycarbonyl)pyrrolidine (186550-13-0)

Guidance literature:

In chloroform; at 20 ℃; for 1h;

Reference yield: 98.0%

tert-butyl phenyl carbonate (6627-89-0) + pyrrolidin-3-amine (79286-79-6) → 3-amino-1-(t-butoxycarbonyl)pyrrolidine (186550-13-0)

Guidance literature:

In N,N-dimethyl-formamide; for 24h;

upstream raw materials:

tert-butyl 3-{[(benzyloxy)carbonyl]amino}-1-pyrrolidinecarboxylate

di-tert-butyl dicarbonate

1-boc-pyrrolidine-3-carboxylic acid

methyl 1-tert-butoxycarbonyl-3-pyrrolidinecarboxylate

Downstream raw materials:

3-benzenesulfonylamino-pyrrolidine-1-carboxylic acid tert-butyl ester

3-(1-cyclohexylmethyl-propoxycarbonylamino)-pyrrolidine-1-carboxylic acid tert-butyl ester

1-(tert-butoxycarbonyl)-3-(4-cyanophenylamino)pyrrolidine

1-(tert-butoxycarbonyl)-3-(2-methoxyphenylamino)pyrrolidine

Refernces

• 1、 Bartole, Edith,Littmann, Timo,Tanaka, Miho,Ozawa, Takeaki,Buschauer, Armin,Bernhardt, Günther. "UR-DEBa176: A 2,4-Diaminopyrimidine-Type Radioligand Enabling Binding Studies at the Human, Mouse, and Rat Histamine H4 Receptors". supporting information. p. 8338 - 8356. Retrieved 2019/10/11.
• 2、 Cole, Derek C.,Gross, Jonathan L.,Comery, Thomas A.,Aschmies, Suzan,Hirst, Warren D.,Kelley, Cody,Kim, Ji-In,Kubek, Katie,Ning, Xiaoping,Platt, Brian J.,Robichaud, Albert J.,Solvibile, William R.,Stock, Joseph R.,Tawa, Gregory,Williams, Marla J.,Ellingboe, John W.. "Benzimidazole- and indole-substituted 1,3′-bipyrrolidine benzamides as histamine H3 receptor antagonists". scheme or table. p. 1237 - 1240. Retrieved 2010/06/15.