(R)-1-tert-butyl 3-methyl pyrrolidine-1,3-dicarboxylate

Base Information

• Chemical Name: (R)-1-tert-butyl 3-methyl pyrrolidine-1,3-dicarboxylate
• CAS No.: 441717-40-4
• Molecular Formula: C₁₁H₁₉NO₄
• Molecular Weight: 229.276
• Hs Code.: 2933998090
• DSSTox Substance ID: DTXSID00363864
• Wikidata: Q72450655
• Mol file: 441717-40-4.mol

Synonyms:441717-40-4;(R)-1-tert-butyl 3-methyl pyrrolidine-1,3-dicarboxylate;(R)-1-Boc-pyrrolidine-3-carboxylic acid methyl ester;O1-tert-Butyl O3-methyl (3R)-pyrrolidine-1,3-dicarboxylate;1-O-tert-butyl 3-O-methyl (3R)-pyrrolidine-1,3-dicarboxylate;1-tert-butyl 3-methyl (3R)-pyrrolidine-1,3-dicarboxylate;MFCD09954284;SCHEMBL1968331;DTXSID00363864;CS-B0424;AB8789;AKOS015851027;AKOS015911010;AC-1504;AS-44916;AM20100145;A26485;J-502377;J-523814;(R)-1-tert-butyl3-methylpyrrolidine-1,3-dicarboxylate;(R)-Methyl-1-tert-butoxycarbonyl-pyrrolidine-3-carboxylate;1-(tert-butyl) 3-methyl (R)-pyrrolidine-1,3-dicarboxylate;(R)-Pyrrolidine-1,3-dicarboxylic acid 1-tert-butyl ester 3-methyl ester

Chemical Property of (R)-1-tert-butyl 3-methyl pyrrolidine-1,3-dicarboxylate

Chemical Property:

• Vapor Pressure: 1.23E-06mmHg at 25°C
• Boiling Point: 374.4°C at 760 mmHg
• Flash Point: 180.3°C
• PSA: 93.14000
• Density: 1.301g/cm³
• LogP: 1.40250
• Storage Temp.: 2-8°C
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 229.13140809
• Heavy Atom Count: 16
• Complexity: 282

Purity/Quality:

97% ^*data from raw suppliers

(R)-1-tert-Butyl3-Methylpyrrolidine-1,3-dicarboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCC(C1)C(=O)OC
• Isomeric SMILES: CC(C)(C)OC(=O)N1CC[C@H](C1)C(=O)OC

Technology Process of (R)-1-tert-butyl 3-methyl pyrrolidine-1,3-dicarboxylate

There total 9 articles about (R)-1-tert-butyl 3-methyl pyrrolidine-1,3-dicarboxylate 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: 95.0%

di-tert-butyl dicarbonate (24424-99-5) + (R)-methyl pyrrolidine-3-carboxylate hydrochloric acid (198959-37-4) → (R)-methyl-1-tert-butoxycarbonyl-pyrrolidine-3-carboxylate (441717-40-4)

Guidance literature:

With triethylamine; In dichloromethane; at 0 ℃; for 1h;

Reference yield: 89.0%

→ (R)-methyl-1-tert-butoxycarbonyl-pyrrolidine-3-carboxylate (441717-40-4)

Guidance literature:

Reference yield:

(R)-1-(tert-butoxycarbonyl)pyrrolidine-3-carboxylic acid (72925-16-7) + diazomethyl-trimethyl-silane (18107-18-1) → (R)-methyl-1-tert-butoxycarbonyl-pyrrolidine-3-carboxylate (441717-40-4)

Guidance literature:

In methanol; hexanes; toluene; for 2h;

upstream raw materials:

(R)-1-(tert-butoxycarbonyl)pyrrolidine-3-carboxylic acid

diazomethyl-trimethyl-silane

methanol

1-boc-pyrrolidine-3-carboxylic acid

Downstream raw materials:

trans-3-[N'-(6-benzyloxy-7-oxo-1,6-diaza-bicyclo[3.2.1]octane-2-carbonyl)-hydrazinocarbonyl]-(R)-pyrrolidin-1-carboxylic acid tert-butyl ester