Methyl 3-amino-1-benzylpyrrolidine-3-carboxylate

Base Information

• Chemical Name: Methyl 3-amino-1-benzylpyrrolidine-3-carboxylate
• CAS No.: 145602-88-6
• Molecular Formula: C₁₃H₁₈N₂O₂
• Molecular Weight: 234.298
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID70440035
• Mol file: 145602-88-6.mol

Synonyms:METHYL 3-AMINO-1-BENZYLPYRROLIDINE-3-CARBOXYLATE;145602-88-6;MFCD09608112;Methyl3-amino-1-benzylpyrrolidine-3-Carboxylate;SCHEMBL2089472;DTXSID70440035;YKDAFRKLQDUTAP-UHFFFAOYSA-N;AKOS005363037;CS-W022818;DS-14002;SY036021;FT-0705246;EN300-366451;F30171;A884597

Chemical Property of Methyl 3-amino-1-benzylpyrrolidine-3-carboxylate

Chemical Property:

• Vapor Pressure: 0.000336mmHg at 25°C
• Refractive Index: 1.563
• Boiling Point: 319.6 °C at 760 mmHg
• Flash Point: 147.1 °C
• PSA: 55.56000
• Density: 1.161 g/cm³
• LogP: 1.40100
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 234.136827821
• Heavy Atom Count: 17
• Complexity: 277

Purity/Quality:

98%min ^*data from raw suppliers

Methyl 3-amino-1-benzylpyrrolidine-3-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1(CCN(C1)CC2=CC=CC=C2)N

Technology Process of Methyl 3-amino-1-benzylpyrrolidine-3-carboxylate

There total 4 articles about Methyl 3-amino-1-benzylpyrrolidine-3-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: 100.0%

methyl 1-benzyl-3-((tert-butoxycarbonyl)amino)pyrrolidine-3-carboxylate (675834-17-0) → methyl 3-amino-1-benzylpyrrolidine-3-carboxylate (145602-88-6)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 0 - 20 ℃; for 16h;

Reference yield: 56.0%

methyl 3-amino-1-benzylpyrrolidine-3-carboxylate (145602-88-6) → methyl (R)-3-amino-1-benzylpyrrolidine-3-carboxylate (145602-88-6)

Guidance literature:

With (R)-Mandelic Acid; In isopropyl alcohol; toluene; at 20 ℃; for 3h;

Reference yield:

3-(benzhydrylidene-amino)-1-benzyl-pyrrolidne-3-carboxylic acid methyl ester (168210-66-0) → methyl 3-amino-1-benzylpyrrolidine-3-carboxylate (145602-88-6)

Guidance literature:

3-(benzhydrylidene-amino)-1-benzyl-pyrrolidne-3-carboxylic acid methyl ester; With hydrogenchloride; In diethyl ether; water; at 20 ℃; for 21.1667h; Ice-salt bath;

With sodium hydrogencarbonate; In water; pH=8;

upstream raw materials:

3-(benzhydrylidene-amino)-1-benzyl-pyrrolidne-3-carboxylic acid methyl ester

N-benzyl-N-(methoxymethyl)-N-[(trimethylsilyl)methyl]amine

methyl 1-benzyl-3-((tert-butoxycarbonyl)amino)pyrrolidine-3-carboxylate

Downstream raw materials:

methyl 1-benzyl-3-((tert-butoxycarbonyl)amino)pyrrolidine-3-carboxylate

Refernces

• 1、 -. "SPIRO-CONDENSED PYRROLIDINE DERIVATIVES AS DEUBIQUITYLATING ENZYMES (DUB) INHIBITORS". . . Retrieved 2017/09/15.