tert-Butyl 2-((methylamino)methyl)pyrrolidine-1-carboxylate

Base Information

• Chemical Name: tert-Butyl 2-((methylamino)methyl)pyrrolidine-1-carboxylate
• CAS No.: 955979-19-8
• Molecular Formula: C₁₁H₂₂N₂O₂
• Molecular Weight: 214.308
• Hs Code.: 2933990090
• European Community (EC) Number: 862-717-2
• Mol file: 955979-19-8.mol

Synonyms:955979-19-8;tert-Butyl 2-((methylamino)methyl)pyrrolidine-1-carboxylate;2-Methylaminomethyl-pyrrolidine-1-carboxylic acid tert-butyl ester;tert-butyl 2-(methylaminomethyl)pyrrolidine-1-carboxylate;1-Boc-2-(methylaminomethyl)pyrrolidine;2-Methylaminomethyl-pyrrolidine-1-carboxylic acid isopropyl ester;(S)-1-Boc-2-(Methylaminomethyl)pyrrolidine;TERT-BUTYL 2-[(METHYLAMINO)METHYL]PYRROLIDINE-1-CARBOXYLATE;Methyl2-hexenoate;(R)-1-Boc-2-(Methylaminomethyl)pyrrolidine;SCHEMBL190145;NHOPGDPSLMBDQD-UHFFFAOYSA-N;AKOS015907354;AB88910;AB91463;SB44310;AM101748;CS-0135252;FT-0689578;FT-0772081;FT-0772695;EN300-81719;F80480;A858997;(R)-N-methyl-1-(1-Bocpyrrolidin-2-yl)methanamine;tert-Butyl2-((methylamino)methyl)pyrrolidine-1-carboxylate;2-[(Methylamino)methyl]pyrrolidine-1-carboxylic acid tert-butyl ester

Chemical Property of tert-Butyl 2-((methylamino)methyl)pyrrolidine-1-carboxylate

Chemical Property:

• Boiling Point: 282℃
• Flash Point: 124℃
• PSA: 41.57000
• Density: 1.004
• LogP: 1.93410
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 214.168127949
• Heavy Atom Count: 15
• Complexity: 223

Purity/Quality:

98% ^*data from raw suppliers

tert-Butyl2-((methylamino)methyl)pyrrolidine-1-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCCC1CNC

Technology Process of tert-Butyl 2-((methylamino)methyl)pyrrolidine-1-carboxylate

There total 5 articles about tert-Butyl 2-((methylamino)methyl)pyrrolidine-1-carboxylate 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:

C11H20N2O2 → tert-butyl 2-((methylamino)methyl)pyrrolidine-1-carboxylate (955979-19-8)

Guidance literature:

C₁₁H₂₀N₂O₂; With sodium tetrahydroborate; In methanol; at 20 ℃; for 2h;

With water; sodium hydrogencarbonate; In methanol;

Reference yield:

N-(tert-butoxycarbonyl)pyrrolidine-2-carboxaldehyde (59378-82-4,117625-90-8) + methylamine (74-89-5) → tert-butyl 2-((methylamino)methyl)pyrrolidine-1-carboxylate (955979-19-8)

Guidance literature:

N-(tert-butoxycarbonyl)pyrrolidine-2-carboxaldehyde; methylamine; In methanol; for 72h;

With methanol; sodium tris(acetoxy)borohydride; for 2h; Molecular sieve;

With water; sodium hydrogencarbonate; In dichloromethane;

Reference yield:

(+/-)-N-tert-butoxycarbonylproline methyl ester (145681-01-2) → tert-butyl 2-((methylamino)methyl)pyrrolidine-1-carboxylate (955979-19-8)

Guidance literature:

Multi-step reaction with 2 steps

1.1: diisobutylaluminium hydride / toluene / 2 h / -78 - -65 °C

2.1: methanol / 72 h

2.2: 2 h / Molecular sieve

With diisobutylaluminium hydride; In methanol; toluene;

upstream raw materials:

N-(tert-butoxycarbonyl)pyrrolidine-2-carboxaldehyde

methylamine

(+/-)-N-tert-butoxycarbonylproline methyl ester

rac-Pro-OH

Downstream raw materials:

2-{[(2-chloro-4-morpholin-4-yl-thieno[3,2-d]pyrimidin-6-ylmethyl)-methyl-amino]-methyl}-pyrrolidine-1-carboxylic acid tert-butyl ester

Refernces

• 1、 -. "Pharmaceutical compounds". Page/Page column 91-93. . Retrieved 2008/06/13.